 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer06_STD_B3LYPDBJ_def2SVPD.in
 Output=30_ibuprofen_conformer06_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-11285.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11287.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer06_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.736226000000     -0.365262000000     -1.272205000000
  C                                                 1.580407000000     -0.843892000000     -0.268944000000
  C                                                -0.631287000000     -0.249652000000     -1.070495000000
  C                                                -1.202033000000     -0.613612000000      0.148225000000
  C                                                -0.367697000000     -1.095463000000      1.151784000000
  C                                                 1.000381000000     -1.213316000000      0.943659000000
  C                                                 3.068617000000     -0.934244000000     -0.480851000000
  C                                                 3.864505000000      0.334941000000     -0.092392000000
  C                                                 3.754611000000      0.654693000000      1.397822000000
  C                                                 3.475770000000      1.545740000000     -0.939652000000
  C                                                -2.702771000000     -0.516689000000      0.368988000000
  C                                                -3.138269000000      0.918833000000      0.145133000000
  O                                                -3.559047000000      1.373836000000     -0.886855000000
  O                                                -2.970828000000      1.672405000000      1.255783000000
  H                                                 1.156867000000     -0.080316000000     -2.228675000000
  H                                                -1.260188000000      0.132647000000     -1.864576000000
  H                                                -0.792008000000     -1.385962000000      2.105337000000
  H                                                 1.627267000000     -1.599939000000      1.737720000000
  H                                                 3.268482000000     -1.153685000000     -1.532795000000
  H                                                 3.462957000000     -1.774242000000      0.096737000000
  H                                                 4.913285000000      0.101574000000     -0.306459000000
  H                                                 4.394928000000      1.499871000000      1.657871000000
  H                                                 4.056957000000     -0.196129000000      2.012581000000
  H                                                 2.730553000000      0.917518000000      1.669696000000
  H                                                 2.441497000000      1.841134000000     -0.753494000000
  H                                                 3.577595000000      1.336297000000     -2.006833000000
  H                                                 4.113060000000      2.400281000000     -0.703913000000
  H                                                -2.898442000000     -0.751368000000      1.416045000000
  C                                                -3.487164000000     -1.472476000000     -0.531817000000
  H                                                -3.218631000000      2.580750000000      1.021627000000
  H                                                -4.556603000000     -1.415011000000     -0.324547000000
  H                                                -3.151396000000     -2.495431000000     -0.362197000000
  H                                                -3.334967000000     -1.225513000000     -1.581072000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395801   0.000000
     3  C    1.387135   2.426354   0.000000
     4  C    2.415812   2.822947   1.394093   0.000000
     5  C    2.761804   2.424225   2.392363   1.391196   0.000000
     6  C    2.387263   1.394027   2.765467   2.417227   1.388828
     7  C    2.527851   1.505934   3.808627   4.328625   3.807853
     8  C    3.415900   2.576416   4.637950   5.160180   4.637409
     9  C    4.156922   3.122664   5.113368   5.266727   4.485198
    10  C    3.356728   3.122914   4.484247   5.265750   5.110998
    11  C    3.813548   4.342768   2.536625   1.519982   2.529885
    12  C    4.320817   5.054163   3.021269   2.469293   3.570267
    13  O    4.649981   5.631529   3.352792   3.252208   4.520863
    14  O    4.927987   5.419436   3.818288   3.095350   3.801079
    15  H    1.083036   2.145456   2.137183   3.390939   3.844779
    16  H    2.141141   3.401272   1.082697   2.147476   3.376866
    17  H    3.845142   3.399912   3.376824   2.143579   1.083371
    18  H    3.373134   2.144878   3.848430   3.391795   2.139556
    19  H    2.664927   2.131405   4.029788   4.806559   4.520194
    20  H    3.360698   2.131494   4.522128   4.807478   4.030853
    21  H    4.312589   3.464591   5.607976   6.173762   5.607864
    22  H    5.044816   4.138523   5.980606   6.170236   5.447429
    23  H    4.673936   3.429031   5.611404   5.595274   4.596448
    24  H    3.778577   2.860721   4.491425   4.486030   3.730882
    25  H    2.836405   2.861054   3.730131   4.484884   4.488347
    26  H    3.392397   3.429613   4.594198   5.593859   5.608533
    27  H    4.401612   4.138621   5.446591   6.169271   5.978379
    28  H    4.537243   4.786213   3.402145   2.122298   2.567665
    29  C    4.428444   5.113169   3.153015   2.534152   3.564790
    30  H    5.438892   6.035272   4.368352   3.877299   4.653956
    31  H    5.478510   6.163778   4.162043   3.481220   4.452931
    32  H    4.525410   5.012608   3.449081   2.757134   3.464250
    33  H    4.172534   5.101786   2.919397   2.813236   4.036100
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526798   0.000000
     8  C    3.416681   1.547633   0.000000
     9  C    3.358795   2.554353   1.528089   0.000000
    10  C    4.157740   2.554720   1.528070   2.517042   0.000000
    11  C    3.811676   5.848547   6.638317   6.642922   6.643833
    12  C    4.723571   6.507779   7.031088   7.010763   6.731663
    13  O    5.552704   7.029794   7.537878   7.695876   7.037115
    14  O    4.918873   6.803338   7.094234   6.803488   6.811359
    15  H    3.372222   2.727429   3.473823   4.521061   3.111744
    16  H    3.848113   4.668137   5.426236   6.005329   5.028083
    17  H    2.142886   4.668709   5.429055   5.033547   6.006727
    18  H    1.083050   2.728131   3.478262   3.118411   4.525548
    19  H    3.358670   1.093017   2.155461   3.477796   2.771585
    20  H    2.663869   1.093027   2.155380   2.770850   3.478009
    21  H    4.313067   2.122765   1.095548   2.133785   2.133776
    22  H    4.403911   3.501164   2.168371   1.091768   2.755736
    23  H    3.394101   2.781876   2.179446   1.092355   3.476718
    24  H    2.839204   2.858000   2.174902   1.091644   2.785446
    25  H    3.779789   2.858380   2.175000   2.785690   1.091619
    26  H    4.674180   2.782631   2.179476   3.476722   1.092296
    27  H    5.045924   3.501382   2.168264   2.755513   1.091765
    28  H    3.954411   6.263980   7.013765   6.800033   7.173325
    29  C    4.730989   6.578036   7.583330   7.790485   7.599895
    30  H    5.674599   7.358132   7.513688   7.244123   7.052153
    31  H    5.703429   7.641960   8.604144   8.736504   8.582739
    32  H    4.537216   6.414043   7.570117   7.791911   7.783563
    33  H    5.016937   6.503938   7.515556   7.916508   7.380881
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516738   0.000000
    13  O    2.425785   1.203778   0.000000
    14  O    2.377055   1.352572   2.241884   0.000000
    15  H    4.672802   5.008139   5.114185   5.679027   0.000000
    16  H    2.737059   2.860805   2.789488   3.877342   2.453584
    17  H    2.724254   3.828762   4.922012   3.850014   4.928132
    18  H    4.668628   5.620576   6.529134   5.664184   4.273502
    19  H    6.299080   6.939541   7.308950   7.395400   2.468864
    20  H    6.298552   7.129599   7.757989   7.390288   3.687137
    21  H    7.670905   8.105515   8.586962   8.189466   4.223586
    22  H    7.490331   7.705520   8.352080   7.378740   5.299742
    23  H    6.964056   7.516767   8.299099   7.311219   5.139279
    24  H    5.767998   6.063610   6.804649   5.766015   4.320817
    25  H    5.769124   5.726426   6.020189   5.775719   2.741971
    26  H    6.965707   7.064564   7.224086   7.323898   2.813526
    27  H    7.491020   7.449654   7.742628   7.385911   4.149378
    28  H    1.090729   2.112417   3.202536   2.430144   5.493617
    29  C    1.529788   2.509651   2.869270   3.654093   5.136581
    30  H    3.207207   1.880603   2.283600   0.970220   6.065535
    31  H    2.173630   2.771119   3.014793   3.813694   6.168537
    32  H    2.156691   3.451776   3.925898   4.474519   5.279929
    33  H    2.169064   2.759836   2.699771   4.071642   4.680538
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276164   0.000000
    18  H    4.931104   2.456384   0.000000
    19  H    4.719489   5.456880   3.686326   0.000000
    20  H    5.458120   4.721225   2.468393   1.754505   0.000000
    21  H    6.367139   6.370235   4.227497   2.405193   2.405141
    22  H    6.801270   5.952526   4.156338   4.300069   3.745067
    23  H    6.588814   4.993673   2.819508   3.756101   2.552202
    24  H    5.388239   4.231340   2.749447   3.851649   3.202528
    25  H    4.225625   5.389120   4.325517   3.203148   3.851911
    26  H    4.987299   6.588935   5.142659   2.553483   3.756807
    27  H    5.946520   6.803471   5.304950   3.745802   4.300037
    28  H    3.771980   2.305406   4.615798   6.847515   6.576796
    29  C    3.051571   3.771728   5.596825   6.836837   6.985007
    30  H    4.261323   4.774697   6.440006   7.909090   8.029010
    31  H    3.953895   4.480776   6.521303   7.922128   8.038649
    32  H    3.569398   3.589757   5.295959   6.662238   6.669363
    33  H    2.495933   4.481294   5.981500   6.604016   7.023384
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.466277   0.000000
    23  H    2.489954   1.765350   0.000000
    24  H    3.055368   1.763354   1.765539   0.000000
    25  H    3.055429   3.122024   3.796225   2.609304   0.000000
    26  H    2.489956   3.758303   4.328257   3.796014   1.765344
    27  H    2.466249   2.543268   3.758169   3.121527   1.763300
    28  H    8.044726   7.636740   7.002979   5.876658   6.320041
    29  C    8.549618   8.703847   8.063299   7.015607   6.795452
    30  H    8.604544   7.716177   7.850301   6.211210   5.977887
    31  H    9.590575   9.620625   9.007844   7.906980   7.730451
    32  H    8.472699   8.774401   7.930114   7.097474   7.087973
    33  H    8.451003   8.813044   8.283388   7.207677   6.592173
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765329   0.000000
    28  H    7.616659   7.974226   0.000000
    29  C    7.744398   8.531780   2.158879   0.000000
    30  H    7.543800   7.534172   3.370623   4.349016   0.000000
    31  H    8.750141   9.479632   2.493909   1.090854   4.423625
    32  H    7.916204   8.766817   2.503575   1.089930   5.261854
    33  H    7.384284   8.330000   3.065628   1.088619   4.612506
                   31         32         33
    31  H    0.000000
    32  H    1.772944   0.000000
    33  H    1.762714   1.769759   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.94D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1831818           0.2892133           0.2785107
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       984.3576103471 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0630911691 Hartrees.
 Nuclear repulsion after empirical dispersion term =      984.2945191780 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.86D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               8.0 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 930000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.327305380327    
 DIIS: error= 2.10D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.327305380327     IErMin= 1 ErrMin= 2.10D-03
 ErrMax= 2.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.10D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.222 Goal=   None    Shift=    0.000
 GapD=    0.222 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.74D-02 MaxDP=8.42D-01              OVMax= 1.47D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.10D-02    CP:  1.36D+00
 E= -656.337202384718     Delta-E=       -0.009897004391 Rises=F Damp=F
 DIIS: error= 6.94D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.337202384718     IErMin= 2 ErrMin= 6.94D-04
 ErrMax= 6.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.94D-03
 Coeff-Com:  0.362D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.360D-01 0.964D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=9.20D-04 MaxDP=5.00D-02 DE=-9.90D-03 OVMax= 7.17D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.73D-04    CP:  1.38D+00  1.04D+00
 E= -656.337052748579     Delta-E=        0.000149636139 Rises=F Damp=F
 DIIS: error= 8.42D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.337202384718     IErMin= 2 ErrMin= 6.94D-04
 ErrMax= 8.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-04 BMatP= 3.83D-04
 IDIUse=3 WtCom= 2.56D-01 WtEn= 7.44D-01
 Coeff-Com: -0.134D-01 0.570D+00 0.443D+00
 Coeff-En:   0.000D+00 0.587D+00 0.413D+00
 Coeff:     -0.344D-02 0.583D+00 0.421D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.19D-04 MaxDP=6.13D-03 DE= 1.50D-04 OVMax= 3.93D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.03D-05    CP:  1.38D+00  1.04D+00  7.37D-01
 E= -656.337522991988     Delta-E=       -0.000470243409 Rises=F Damp=F
 DIIS: error= 1.51D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.337522991988     IErMin= 4 ErrMin= 1.51D-04
 ErrMax= 1.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-05 BMatP= 3.83D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.51D-03
 Coeff-Com: -0.846D-02 0.269D+00 0.214D+00 0.525D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.845D-02 0.269D+00 0.214D+00 0.526D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.52D-05 MaxDP=1.74D-03 DE=-4.70D-04 OVMax= 8.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.34D-05    CP:  1.38D+00  1.04D+00  6.82D-01  9.84D-01
 E= -656.337531047175     Delta-E=       -0.000008055187 Rises=F Damp=F
 DIIS: error= 4.71D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.337531047175     IErMin= 5 ErrMin= 4.71D-05
 ErrMax= 4.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-06 BMatP= 1.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.292D-02 0.690D-01 0.555D-01 0.292D+00 0.586D+00
 Coeff:     -0.292D-02 0.690D-01 0.555D-01 0.292D+00 0.586D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.56D-05 MaxDP=7.58D-04 DE=-8.06D-06 OVMax= 5.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.17D-06    CP:  1.38D+00  1.04D+00  6.95D-01  9.71D-01  8.05D-01
 E= -656.337532006086     Delta-E=       -0.000000958911 Rises=F Damp=F
 DIIS: error= 1.86D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.337532006086     IErMin= 6 ErrMin= 1.86D-05
 ErrMax= 1.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-07 BMatP= 1.69D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.651D-03 0.457D-02 0.400D-02 0.117D+00 0.414D+00 0.460D+00
 Coeff:     -0.651D-03 0.457D-02 0.400D-02 0.117D+00 0.414D+00 0.460D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.88D-06 MaxDP=1.95D-04 DE=-9.59D-07 OVMax= 2.39D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.35D-06    CP:  1.38D+00  1.04D+00  6.97D-01  9.66D-01  8.11D-01
                    CP:  7.43D-01
 E= -656.337532472891     Delta-E=       -0.000000466805 Rises=F Damp=F
 DIIS: error= 2.23D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.337532472891     IErMin= 7 ErrMin= 2.23D-06
 ErrMax= 2.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.09D-09 BMatP= 5.85D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-03-0.142D-02-0.101D-02 0.328D-01 0.143D+00 0.190D+00
 Coeff-Com:  0.638D+00
 Coeff:     -0.127D-03-0.142D-02-0.101D-02 0.328D-01 0.143D+00 0.190D+00
 Coeff:      0.638D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.36D-06 MaxDP=5.77D-05 DE=-4.67D-07 OVMax= 1.96D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.10D-06    CP:  1.38D+00  1.04D+00  6.96D-01  9.72D-01  8.21D-01
                    CP:  7.24D-01  8.66D-01
 E= -656.337532478755     Delta-E=       -0.000000005864 Rises=F Damp=F
 DIIS: error= 7.69D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.337532478755     IErMin= 8 ErrMin= 7.69D-07
 ErrMax= 7.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-09 BMatP= 7.09D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.939D-05-0.104D-02-0.802D-03 0.598D-02 0.359D-01 0.540D-01
 Coeff-Com:  0.320D+00 0.586D+00
 Coeff:     -0.939D-05-0.104D-02-0.802D-03 0.598D-02 0.359D-01 0.540D-01
 Coeff:      0.320D+00 0.586D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.12D-07 MaxDP=1.54D-05 DE=-5.86D-09 OVMax= 1.15D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.74D-07    CP:  1.38D+00  1.04D+00  6.97D-01  9.73D-01  8.20D-01
                    CP:  7.33D-01  8.44D-01  7.86D-01
 E= -656.337532479760     Delta-E=       -0.000000001005 Rises=F Damp=F
 DIIS: error= 2.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.337532479760     IErMin= 9 ErrMin= 2.68D-07
 ErrMax= 2.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-10 BMatP= 1.01D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.655D-05-0.424D-03-0.330D-03 0.282D-04 0.616D-02 0.108D-01
 Coeff-Com:  0.115D+00 0.322D+00 0.547D+00
 Coeff:      0.655D-05-0.424D-03-0.330D-03 0.282D-04 0.616D-02 0.108D-01
 Coeff:      0.115D+00 0.322D+00 0.547D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.47D-07 MaxDP=6.38D-06 DE=-1.00D-09 OVMax= 5.00D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.24D-08    CP:  1.38D+00  1.04D+00  6.97D-01  9.72D-01  8.21D-01
                    CP:  7.32D-01  8.61D-01  7.70D-01  6.72D-01
 E= -656.337532479870     Delta-E=       -0.000000000111 Rises=F Damp=F
 DIIS: error= 1.02D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.337532479870     IErMin=10 ErrMin= 1.02D-07
 ErrMax= 1.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-11 BMatP= 1.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.483D-05-0.160D-03-0.124D-03-0.552D-03 0.480D-03 0.126D-02
 Coeff-Com:  0.389D-01 0.135D+00 0.320D+00 0.505D+00
 Coeff:      0.483D-05-0.160D-03-0.124D-03-0.552D-03 0.480D-03 0.126D-02
 Coeff:      0.389D-01 0.135D+00 0.320D+00 0.505D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.35D-08 MaxDP=2.05D-06 DE=-1.11D-10 OVMax= 1.89D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.90D-08    CP:  1.38D+00  1.04D+00  6.97D-01  9.72D-01  8.21D-01
                    CP:  7.32D-01  8.60D-01  7.74D-01  6.81D-01  6.68D-01
 E= -656.337532479846     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 2.62D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.337532479870     IErMin=11 ErrMin= 2.62D-08
 ErrMax= 2.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-12 BMatP= 1.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-05-0.341D-04-0.255D-04-0.326D-03-0.465D-03-0.750D-03
 Coeff-Com:  0.729D-02 0.348D-01 0.110D+00 0.285D+00 0.564D+00
 Coeff:      0.180D-05-0.341D-04-0.255D-04-0.326D-03-0.465D-03-0.750D-03
 Coeff:      0.729D-02 0.348D-01 0.110D+00 0.285D+00 0.564D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.41D-08 MaxDP=5.74D-07 DE= 2.46D-11 OVMax= 5.23D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.23D-09    CP:  1.38D+00  1.04D+00  6.97D-01  9.72D-01  8.21D-01
                    CP:  7.32D-01  8.61D-01  7.75D-01  6.88D-01  6.90D-01
                    CP:  7.07D-01
 E= -656.337532479870     Delta-E=       -0.000000000024 Rises=F Damp=F
 DIIS: error= 7.77D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.337532479870     IErMin=12 ErrMin= 7.77D-09
 ErrMax= 7.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.25D-14 BMatP= 1.42D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-06 0.396D-06 0.135D-05-0.946D-04-0.222D-03-0.487D-03
 Coeff-Com: -0.577D-03 0.196D-02 0.177D-01 0.792D-01 0.261D+00 0.641D+00
 Coeff:      0.327D-06 0.396D-06 0.135D-05-0.946D-04-0.222D-03-0.487D-03
 Coeff:     -0.577D-03 0.196D-02 0.177D-01 0.792D-01 0.261D+00 0.641D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.71D-09 MaxDP=1.45D-07 DE=-2.39D-11 OVMax= 1.44D-07

 SCF Done:  E(RB3LYP) =  -656.337532480     A.U. after   12 cycles
            NFock= 12  Conv=0.37D-08     -V/T= 2.0112
 KE= 6.490948638008D+02 PE=-3.491350981663D+03 EE= 1.201624066204D+03
 Leave Link  502 at Wed Sep  8 12:35:59 2021, MaxMem=  6442450944 cpu:            2998.2 elap:             375.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.60849644D+02

 Leave Link  801 at Wed Sep  8 12:35:59 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10031 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 3.50D-01 1.61D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 9.47D-02 1.06D-01.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 9.63D-03 2.33D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 2.18D-03 1.30D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.24D-04 1.64D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.22D-06 3.02D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.11D-07 3.76D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 2.77D-09 6.68D-06.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 6.82D-11 1.48D-06.
      8 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 1.07D-12 2.47D-07.
      3 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 1.95D-14 2.80D-08.
      1 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 2.83D-14 1.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.214286D+03
      2 -0.144921D+01  0.138388D+03
      3  0.161435D+01 -0.775976D+01  0.153589D+03
 Isotropic polarizability for W=    0.088559      168.75 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.153886D+03  0.508214D+02 -0.255018D+02
      2  -0.887173D+02 -0.269698D+02  0.366756D+02
      3  -0.651685D+02 -0.238516D+02 -0.111738D+02
      4  -0.287718D+02  0.628528D+02 -0.178585D+02
      5  -0.279810D+02 -0.248750D+02  0.107766D+03
      6   0.560510D+00  0.221189D+02 -0.280836D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.108664D+02 -0.812680D+01  0.227369D+02
      2   0.307183D+01 -0.843177D+01  0.483308D+02
      3  -0.120467D+03 -0.306117D+02  0.153665D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.701647D+01 -0.145567D+02  0.423203D+01
      2   0.247924D+01 -0.184190D+02  0.172934D+03
      3  -0.795932D+02 -0.151570D+03  0.254355D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.171325D+01 -0.245941D+00  0.150124D+02
      2  -0.245941D+00 -0.235471D+01 -0.175923D+01
      3   0.150124D+02 -0.175923D+01 -0.329022D+01
 OR G Eigenvalues:   -16.1102    -2.3567    14.5352  Iso=     1.3106
 Eigenvectors:
   (1)  -0.641131   0.086067   0.762590
   (2)   0.115454   0.993199  -0.015029
   (3)   0.758697  -0.078408   0.646708
 w=    0.088559 a.u., Optical Rotation Beta=      1.3106 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      322.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.70D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.48D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.95D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.70D-02 4.25D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.21D-03 6.72D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 4.44D-05 9.53D-04.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 5.52D-07 9.47D-05.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 5.55D-09 7.37D-06.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 3.54D-11 5.78D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 1.73D-13 4.50D-08.
      1 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 5.88D-16 2.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.51D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.214286D+03 -0.144921D+01  0.161435D+01
      2  -0.144921D+01  0.138388D+03 -0.775976D+01
      3   0.161435D+01 -0.775976D+01  0.153589D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.108664D+02 -0.812680D+01  0.227369D+02
      2   0.307183D+01 -0.843177D+01  0.483308D+02
      3  -0.120467D+03 -0.306117D+02  0.153665D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.153886D+03  0.508214D+02 -0.255018D+02
      2  -0.887173D+02 -0.269698D+02  0.366756D+02
      3  -0.651685D+02 -0.238516D+02 -0.111738D+02
      4  -0.287718D+02  0.628528D+02 -0.178585D+02
      5  -0.279810D+02 -0.248750D+02  0.107766D+03
      6   0.560510D+00  0.221189D+02 -0.280836D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128056D+02  0.428093D+00  0.668736D+00  0.619117D+01  0.227972D+01
      2   0.428093D+00  0.104810D+01 -0.157623D+00  0.227972D+01  0.182840D+01
      3   0.668736D+00 -0.157623D+00  0.120122D+01 -0.517882D+00 -0.274581D+01
                 6             7             8             9            10 
      1  -0.517882D+00 -0.104170D+02  0.448698D+00 -0.376569D+00  0.335631D+02
      2  -0.274581D+01  0.448698D+00 -0.125855D+01 -0.967311D+00  0.167450D+01
      3  -0.231478D+01 -0.376569D+00 -0.967311D+00 -0.173230D+01 -0.158652D+01
                11            12            13            14            15 
      1   0.167450D+01 -0.158652D+01 -0.300415D+00  0.407385D+01  0.126911D+01
      2   0.182332D+01 -0.803501D+00  0.407385D+01 -0.123133D+01 -0.157212D+00
      3  -0.803501D+00  0.285864D+01  0.126911D+01 -0.157212D+00 -0.884062D+00
                16            17            18            19            20 
      1  -0.492179D+01  0.139842D+01  0.137743D+01  0.100670D+02 -0.588302D+00
      2   0.139842D+01 -0.272086D-01 -0.104490D+01 -0.588302D+00 -0.912013D+00
      3   0.137743D+01 -0.104490D+01 -0.429314D+00 -0.627415D+00 -0.356068D+00
                21            22            23            24            25 
      1  -0.627415D+00  0.444417D+01 -0.168776D+01 -0.116247D+01 -0.149860D+02
      2  -0.356068D+00 -0.168776D+01  0.259740D+01 -0.213275D+01  0.313014D+00
      3  -0.289738D+01 -0.116247D+01 -0.213275D+01 -0.969543D+00  0.529899D+00
                26            27            28            29            30 
      1   0.313014D+00  0.529899D+00 -0.313821D+02  0.221908D+00  0.126752D+01
      2  -0.797139D+00 -0.845271D+00  0.221908D+00 -0.148746D+01  0.218566D+00
      3  -0.845271D+00 -0.136246D+01  0.126752D+01  0.218566D+00 -0.262255D+01
                31            32            33            34            35 
      1   0.290804D+01 -0.497922D+01 -0.155068D+01  0.329094D+01 -0.152890D+01
      2  -0.497922D+01  0.856888D+00  0.458830D+00 -0.152890D+01 -0.720373D-01
      3  -0.155068D+01  0.458830D+00  0.681645D-01 -0.822253D+00 -0.698391D+00
                36            37            38            39            40 
      1  -0.822253D+00  0.150774D+02 -0.893843D+00 -0.122635D+01 -0.445320D+01
      2  -0.698391D+00 -0.893843D+00 -0.197244D+01  0.132374D+01 -0.189890D+01
      3   0.831019D+00 -0.122635D+01  0.132374D+01 -0.159461D+01 -0.136843D-01
                41            42            43            44            45 
      1  -0.189890D+01 -0.136843D-01  0.122610D+02 -0.217042D+01  0.449736D+00
      2  -0.253175D+01  0.236361D+01 -0.217042D+01  0.138238D+01  0.132510D+01
      3   0.236361D+01  0.220113D+01  0.449736D+00  0.132510D+01  0.147339D+01
                46            47            48            49            50 
      1  -0.114137D+02  0.925266D+00  0.101667D+01 -0.237502D+01  0.153574D+01
      2   0.925266D+00  0.127118D+01 -0.585685D+00  0.153574D+01 -0.365268D+01
      3   0.101667D+01 -0.585685D+00  0.308816D+01  0.202613D+01  0.207533D+01
                51            52            53            54            55 
      1   0.202613D+01  0.148208D+02  0.138877D+01 -0.927918D+00 -0.172535D+02
      2   0.207533D+01  0.138877D+01 -0.145366D+00  0.143424D+01 -0.302866D+01
      3   0.861392D+00 -0.927918D+00  0.143424D+01  0.783096D+00 -0.345699D+00
                56            57            58            59            60 
      1  -0.302866D+01 -0.345699D+00 -0.788982D+01 -0.727624D+01 -0.348398D+00
      2  -0.391315D+01  0.204154D-01 -0.727624D+01  0.597880D+00 -0.204593D+01
      3   0.204154D-01 -0.155368D+01 -0.348398D+00 -0.204593D+01  0.178920D+01
                61            62            63            64            65 
      1  -0.170472D+01 -0.592437D+00 -0.322138D+01 -0.367629D+01  0.460131D+01
      2  -0.592437D+00 -0.268978D+01  0.287037D+01  0.460131D+01  0.301586D+01
      3  -0.322138D+01  0.287037D+01  0.494742D+01  0.254431D+01 -0.291554D+00
                66            67            68            69            70 
      1   0.254431D+01  0.147015D+02  0.534391D+01 -0.117095D+00  0.614458D+01
      2  -0.291554D+00  0.534391D+01  0.162153D+01  0.333883D+01  0.764187D+00
      3   0.568429D+00 -0.117095D+00  0.333883D+01 -0.248668D+01  0.520854D-01
                71            72            73            74            75 
      1   0.764187D+00  0.520854D-01  0.258227D+01 -0.348395D+01 -0.260029D+01
      2   0.343010D+01 -0.224220D+01 -0.348395D+01 -0.340743D+01 -0.829984D-01
      3  -0.224220D+01 -0.434034D+01 -0.260029D+01 -0.829984D-01 -0.138672D+01
                76            77            78            79            80 
      1  -0.543932D+01 -0.457753D+01 -0.143399D+00 -0.303859D+01  0.153792D+00
      2  -0.457753D+01 -0.987016D+00 -0.447455D+01  0.153792D+00 -0.327102D+01
      3  -0.143399D+00 -0.447455D+01  0.264719D+01 -0.307648D+00  0.231094D+01
                81            82            83            84            85 
      1  -0.307648D+00  0.294503D+01 -0.396034D+01 -0.149475D+01 -0.577695D+01
      2   0.231094D+01 -0.396034D+01 -0.377881D+01  0.303414D+00 -0.385545D+01
      3   0.245178D+01 -0.149475D+01  0.303414D+00 -0.809396D+00 -0.149450D+00
                86            87            88            89            90 
      1  -0.385545D+01 -0.149450D+00 -0.227453D+01 -0.917351D+00 -0.585910D+00
      2  -0.255863D+01 -0.248446D+01 -0.917351D+00 -0.324940D+01  0.170793D+01
      3  -0.248446D+01  0.275046D+01 -0.585910D+00  0.170793D+01  0.628166D+01
                91            92            93            94            95 
      1   0.646050D+01  0.258944D+01  0.339494D+00 -0.153294D+01  0.647035D+01
      2   0.258944D+01  0.188189D+01  0.106889D+01  0.647035D+01 -0.423717D+01
      3   0.339494D+00  0.106889D+01  0.140707D+01  0.201469D+01 -0.335863D+00
                96            97            98            99           100 
      1   0.201469D+01  0.377314D+01  0.196995D+01  0.192699D+01  0.360625D+01
      2  -0.335863D+00  0.196995D+01  0.180217D+01  0.198903D+01 -0.239451D+01
      3   0.141017D+01  0.192699D+01  0.198903D+01 -0.440645D+01  0.163479D+01
               101           102           103           104           105 
      1  -0.239451D+01  0.163479D+01 -0.282300D+01 -0.600078D+00 -0.143057D+01
      2   0.682962D+00 -0.974444D+00 -0.600078D+00  0.393984D+01  0.291793D+00
      3  -0.974444D+00  0.377808D+00 -0.143057D+01  0.291793D+00 -0.205483D+01
               106           107           108           109           110 
      1   0.365142D+01 -0.320587D+01  0.128814D+01 -0.599663D+01  0.246213D+01
      2  -0.320587D+01  0.266117D+01 -0.258883D+01  0.246213D+01 -0.172663D+01
      3   0.128814D+01 -0.258883D+01  0.277317D+01 -0.346615D+01  0.731068D+00
               111           112           113           114           115 
      1  -0.346615D+01  0.410788D+01 -0.275902D+01  0.129505D+01 -0.971205D+01
      2   0.731068D+00 -0.275902D+01  0.279108D+01 -0.224710D+01  0.381686D+01
      3  -0.183000D+01  0.129505D+01 -0.224710D+01  0.219846D+01 -0.315833D+01
               116           117           118           119           120 
      1   0.381686D+01 -0.315833D+01  0.985829D+00  0.604859D-01  0.119843D+01
      2  -0.491794D+01  0.215698D+01  0.604859D-01  0.210691D+01  0.506983D+00
      3   0.215698D+01 -0.733621D+01  0.119843D+01  0.506983D+00  0.295432D+00
               121           122           123           124           125 
      1   0.967181D+00  0.204526D+01  0.204889D+00  0.436744D+01 -0.141935D+01
      2   0.204526D+01 -0.685486D+01  0.446846D+00 -0.141935D+01  0.266113D+01
      3   0.204889D+00  0.446846D+00  0.305474D+00 -0.107062D+01  0.266854D+01
               126           127           128           129           130 
      1  -0.107062D+01  0.190245D+01  0.638296D+00 -0.190005D+01  0.208336D+00
      2   0.266854D+01  0.638296D+00  0.263452D+00 -0.340591D+00  0.169036D+00
      3   0.468670D+01 -0.190005D+01 -0.340591D+00  0.196704D+01 -0.590987D+00
               131           132           133           134           135 
      1   0.169036D+00 -0.590987D+00 -0.227208D+01 -0.917868D+00  0.269523D+01
      2   0.374016D+00 -0.622816D+00 -0.917868D+00 -0.114924D+01  0.157107D+01
      3  -0.622816D+00  0.207158D+01  0.269523D+01  0.157107D+01 -0.716742D+01
               136           137           138           139           140 
      1  -0.352873D+01  0.106030D+01 -0.184888D+01  0.163069D+01 -0.615478D+00
      2   0.106030D+01 -0.744385D+00  0.637128D+00 -0.615478D+00  0.652846D+00
      3  -0.184888D+01  0.637128D+00 -0.175681D+01  0.114938D+01 -0.664947D+00
               141           142           143           144           145 
      1   0.114938D+01 -0.223970D+01  0.919810D+00 -0.245756D+01 -0.200400D+01
      2  -0.664947D+00  0.919810D+00 -0.121756D+01  0.146106D+01 -0.661478D+00
      3   0.174339D+01 -0.245756D+01  0.146106D+01 -0.445387D+01  0.206713D+01
               146           147           148           149           150 
      1  -0.661478D+00  0.206713D+01 -0.382069D+00 -0.208993D+00  0.668289D+00
      2  -0.331195D+00  0.647549D+00 -0.208993D+00 -0.665447D+00  0.918188D+00
      3   0.647549D+00 -0.225752D+01  0.668289D+00  0.918188D+00 -0.238223D+01
               151           152           153           154           155 
      1   0.199936D+01  0.104709D+01 -0.268548D+01  0.345542D+01 -0.114137D+01
      2   0.104709D+01  0.162897D+01 -0.249804D+01 -0.114137D+01  0.100080D+01
      3  -0.268548D+01 -0.249804D+01  0.750084D+01  0.245335D+01 -0.110532D+01
               156           157           158           159           160 
      1   0.245335D+01 -0.224077D+01  0.888096D+00 -0.144020D+01  0.246147D+01
      2  -0.110532D+01  0.888096D+00 -0.102577D+01  0.102287D+01 -0.128551D+01
      3   0.214546D+01 -0.144020D+01  0.102287D+01 -0.204016D+01  0.282520D+01
               161           162           163           164           165 
      1  -0.128551D+01  0.282520D+01  0.178971D+01 -0.366553D+00 -0.168305D+01
      2   0.176923D+01 -0.218158D+01 -0.366553D+00  0.902239D+00  0.447658D+00
      3  -0.218158D+01  0.475048D+01 -0.168305D+01  0.447658D+00  0.134754D+01
               166           167           168           169           170 
      1   0.140722D+01  0.152821D+01  0.482532D+00 -0.487591D+01  0.740594D+00
      2   0.152821D+01 -0.114306D+01 -0.126238D+01  0.740594D+00 -0.184698D+01
      3   0.482532D+00 -0.126238D+01 -0.134064D+01  0.308140D+01 -0.255512D+01
               171           172           173           174           175 
      1   0.308140D+01  0.369014D+01 -0.188441D+01  0.104366D+01 -0.274212D+01
      2  -0.255512D+01 -0.188441D+01  0.239692D+01 -0.372190D+00  0.334791D+01
      3  -0.680989D+01  0.104366D+01 -0.372190D+00  0.675201D+00 -0.547350D+00
               176           177           178           179           180 
      1   0.334791D+01 -0.547350D+00  0.477298D+01 -0.935671D+00  0.116649D+01
      2  -0.568450D+01  0.140992D+01 -0.935671D+00  0.273297D+01 -0.157389D+01
      3   0.140992D+01 -0.109664D+01  0.116649D+01 -0.157389D+01  0.887123D+00
               181           182           183           184           185 
      1   0.136082D+02 -0.155876D+01 -0.176957D+01 -0.369917D+01  0.115387D+01
      2  -0.155876D+01  0.120459D+01  0.227660D+00  0.115387D+01 -0.105901D+01
      3  -0.176957D+01  0.227660D+00  0.148306D+01  0.171851D+00 -0.723023D+00
               186           187           188           189           190 
      1   0.171851D+00 -0.261107D+01 -0.587244D-02  0.202767D+01  0.438591D+01
      2  -0.723023D+00 -0.587244D-02 -0.802567D+00  0.615116D-01  0.315459D+01
      3  -0.113171D+00  0.202767D+01  0.615116D-01 -0.343809D+00  0.229008D+01
               191           192           193           194           195 
      1   0.315459D+01  0.229008D+01  0.396715D+01  0.388401D+01  0.196555D+01
      2   0.289646D+01  0.129055D+01  0.388401D+01  0.500654D+01  0.262481D+01
      3   0.129055D+01  0.190546D+01  0.196555D+01  0.262481D+01  0.211524D+01
               196           197           198           199           200 
      1   0.125662D+01  0.917885D+00  0.157913D+01  0.135048D+01 -0.723885D+00
      2   0.917885D+00  0.134516D+01  0.121994D+01 -0.723885D+00  0.132343D+01
      3   0.157913D+01  0.121994D+01  0.132539D+01  0.160170D+01 -0.673800D+00
               201           202           203           204           205 
      1   0.160170D+01 -0.149137D+01  0.136983D+01 -0.130585D+01  0.156973D+01
      2  -0.673800D+00  0.136983D+01 -0.350994D+01  0.266723D+01 -0.700364D+00
      3   0.152840D+01 -0.130585D+01  0.266723D+01 -0.359866D+01  0.153233D+01
               206           207           208           209           210 
      1  -0.700364D+00  0.153233D+01 -0.655715D+01  0.436409D+00  0.725056D+00
      2   0.209364D+01 -0.215189D+01  0.436409D+00 -0.122321D+01 -0.787285D+00
      3  -0.215189D+01  0.381780D+01  0.725056D+00 -0.787285D+00 -0.199781D+01
               211           212           213           214           215 
      1   0.793754D+00 -0.539530D+00 -0.541234D+00  0.102241D+01 -0.309554D+00
      2  -0.539530D+00  0.917654D+00  0.903806D+00 -0.309554D+00  0.684507D+00
      3  -0.541234D+00  0.903806D+00  0.455282D+00 -0.832424D+00  0.186672D+00
               216           217           218           219           220 
      1  -0.832424D+00 -0.656300D+01  0.653088D+00  0.706637D+00  0.998900D+00
      2   0.186672D+00  0.653088D+00 -0.222109D+01  0.345960D+00 -0.105683D+01
      3   0.115122D+01  0.706637D+00  0.345960D+00 -0.107506D+01  0.134989D+00
               221           222           223           224           225 
      1  -0.105683D+01  0.134989D+00  0.972309D+00 -0.425477D-01 -0.520671D+00
      2   0.156425D+01  0.184148D+00 -0.425477D-01  0.746084D+00  0.151235D+00
      3   0.184148D+00  0.165644D+00 -0.520671D+00  0.151235D+00 -0.356837D+00
               226           227           228           229           230 
      1   0.315947D+00  0.415430D+00 -0.111233D+01  0.326033D-02  0.358586D+00
      2   0.415430D+00  0.568725D+00 -0.943352D-01  0.358586D+00 -0.805284D-01
      3  -0.111233D+01 -0.943352D-01  0.961879D+00  0.442520D-01 -0.666661D+00
               231           232           233           234           235 
      1   0.442520D-01 -0.148436D+01 -0.327081D+00  0.129139D+01  0.385542D+01
      2  -0.666661D+00 -0.327081D+00 -0.130363D+01  0.472406D+00  0.376364D+01
      3  -0.112740D+01  0.129139D+01  0.472406D+00 -0.898257D+01 -0.444551D-02
               236           237           238           239           240 
      1   0.376364D+01 -0.444551D-02  0.350143D+01  0.441471D+01 -0.135671D+00
      2   0.415682D+01 -0.229452D+00  0.441471D+01  0.734300D+01 -0.262159D-01
      3  -0.229452D+00  0.958451D+00 -0.135671D+00 -0.262159D-01  0.701487D+00
               241           242           243           244           245 
      1   0.107726D+01  0.802058D+00  0.838182D+00  0.361594D+00 -0.939474D+00
      2   0.802058D+00  0.164752D+01  0.707732D+00 -0.939474D+00 -0.446285D+00
      3   0.838182D+00  0.707732D+00 -0.153274D+00  0.135667D+01  0.956287D-01
               246           247           248           249           250 
      1   0.135667D+01 -0.132556D+01 -0.964543D+00  0.199490D+00  0.251306D+01
      2   0.956287D-01 -0.964543D+00 -0.598381D+00  0.112997D+01  0.273196D+00
      3  -0.115112D+01  0.199490D+00  0.112997D+01 -0.124796D+01 -0.194514D+01
               251           252           253           254           255 
      1   0.273196D+00 -0.194514D+01  0.855842D+01 -0.491845D+00 -0.182563D+01
      2   0.151279D+01 -0.113599D+01 -0.491845D+00 -0.357114D+01 -0.802705D+00
      3  -0.113599D+01  0.611688D+01 -0.182563D+01 -0.802705D+00 -0.106392D+01
               256           257           258           259           260 
      1  -0.556550D+01 -0.375254D+01 -0.128839D+01 -0.696861D+01 -0.169564D+01
      2  -0.375254D+01  0.426858D+01 -0.120382D+01 -0.169564D+01 -0.247637D+01
      3  -0.128839D+01 -0.120382D+01 -0.179891D+01 -0.151418D+01 -0.138581D+01
               261           262           263           264           265 
      1  -0.151418D+01 -0.951856D+00  0.150842D+01  0.544802D+00  0.152742D+01
      2  -0.138581D+01  0.150842D+01 -0.205558D+01 -0.531094D+00 -0.303293D+01
      3   0.383288D+01  0.544802D+00 -0.531094D+00 -0.427681D+00 -0.652095D+00
               266           267           268           269           270 
      1  -0.303293D+01 -0.652095D+00 -0.232822D+00  0.537445D+00 -0.220161D+00
      2   0.104457D+02  0.220045D+01  0.537445D+00 -0.144869D+01  0.610805D+00
      3   0.220045D+01  0.182290D+01 -0.220161D+00  0.610805D+00  0.606156D+00
               271           272           273           274           275 
      1  -0.158745D+02 -0.198609D+01  0.280448D+00  0.854855D+00 -0.110985D+01
      2  -0.198609D+01 -0.137517D+01 -0.134196D+00 -0.110985D+01 -0.513017D+00
      3   0.280448D+00 -0.134196D+00 -0.102816D+01  0.126370D+00  0.224653D+00
               276           277           278           279           280 
      1   0.126370D+00  0.264090D+01  0.534309D+00 -0.124253D+01 -0.703079D-01
      2   0.224653D+00  0.534309D+00  0.652881D+00 -0.891352D-02 -0.782004D+00
      3   0.264965D+00 -0.124253D+01 -0.891352D-02  0.589921D-01  0.309652D+00
               281           282           283           284           285 
      1  -0.782004D+00  0.309652D+00 -0.142402D+01 -0.271025D+00 -0.210171D-01
      2   0.214575D+01  0.261710D+00 -0.271025D+00 -0.856467D+01 -0.228999D-01
      3   0.261710D+00  0.396600D+00 -0.210171D-01 -0.228999D-01 -0.857199D+00
               286           287           288           289           290 
      1   0.106221D+01  0.355373D+00  0.372540D-01 -0.483669D+00  0.292180D+00
      2   0.355373D+00  0.126777D+01 -0.778323D+00  0.292180D+00  0.476590D+00
      3   0.372540D-01 -0.778323D+00 -0.127504D+00 -0.558013D+00  0.195924D+00
               291           292           293           294           295 
      1  -0.558013D+00  0.124833D+01  0.322818D+00  0.203848D+00 -0.191837D+01
      2   0.195924D+00  0.322818D+00  0.921883D-01 -0.444845D+00 -0.327029D+00
      3   0.286563D+00  0.203848D+00 -0.444845D+00  0.740749D+00 -0.809792D+00
               296           297 
      1  -0.327029D+00 -0.809792D+00
      2  -0.134500D+01 -0.249105D+00
      3  -0.249105D+00 -0.627376D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.303783D+01 -0.232187D+01  0.188550D+01 -0.802962D+01 -0.221480D+01
      2   0.415659D+01 -0.247458D+01  0.927580D+01 -0.286884D+01  0.253400D+01
      3   0.220641D+02 -0.183021D+01  0.293416D+01  0.654699D+01 -0.211084D+01
                 6             7             8             9            10 
      1  -0.228861D+01 -0.484733D+00  0.184454D+01 -0.367612D-02 -0.479701D+01
      2  -0.350530D+01 -0.390887D+01 -0.103187D+01  0.262636D+01 -0.218794D+00
      3   0.267635D+01  0.165792D+02  0.159077D+00  0.250815D+01 -0.417321D+02
                11            12            13            14            15 
      1  -0.526328D+00  0.110363D+01  0.279441D+01  0.421399D+01 -0.913012D+01
      2   0.941015D+00 -0.283528D+01  0.573862D+01  0.413194D-01  0.216568D+00
      3  -0.174197D+01  0.122962D+01  0.109790D+02 -0.171237D+01 -0.773518D+00
                16            17            18            19            20 
      1  -0.437079D+01 -0.164404D+01 -0.458485D+01 -0.105337D+01  0.130308D+01
      2  -0.252493D+02 -0.181549D+01 -0.331671D+01 -0.521859D+01 -0.209867D+01
      3   0.923607D+00 -0.149396D+01 -0.545532D+00 -0.142722D+02 -0.133080D+01
                21            22            23            24            25 
      1  -0.150764D+01  0.584164D+01 -0.222318D+01 -0.345631D+01  0.585999D+01
      2   0.374797D+01 -0.437048D+01 -0.245126D+01  0.965462D+00 -0.757981D+00
      3   0.300494D+01  0.769001D+01  0.157255D+01 -0.247047D+01  0.219535D+02
                26            27            28            29            30 
      1   0.103547D+01 -0.190626D+01  0.299307D+01  0.832910D+00 -0.343158D+01
      2   0.494003D+00 -0.237565D+01  0.451181D-01  0.260906D+01 -0.404758D+01
      3  -0.135349D+01 -0.477591D+01  0.347715D+02  0.512082D-01 -0.337073D+01
                31            32            33            34            35 
      1  -0.185664D+01  0.462412D+01 -0.870165D+01 -0.639094D+01 -0.413662D+00
      2   0.634179D+01 -0.612502D+00  0.254360D+01 -0.278243D+02  0.406089D+01
      3   0.817877D+01  0.545991D+01  0.100766D+01 -0.814236D+01 -0.214937D+01
                36            37            38            39            40 
      1  -0.298022D+01 -0.429249D+01 -0.125809D+00 -0.116421D+01 -0.514872D+01
      2   0.343152D-01  0.215535D+00 -0.276309D+01  0.805108D+01 -0.445214D+01
      3   0.275578D+01 -0.180042D+02  0.126122D+00  0.310299D+01  0.151567D+02
                41            42            43            44            45 
      1   0.190498D+01  0.112174D+01 -0.243504D+01  0.362229D+01  0.247256D+01
      2   0.196947D+01 -0.243940D+01 -0.596131D+01 -0.999219D+00  0.202240D+01
      3   0.725472D-01  0.212842D+01 -0.128255D+02  0.478927D+01  0.147087D+01
                46            47            48            49            50 
      1   0.340139D+01  0.108494D+01  0.308123D+01  0.100274D+02  0.142146D+01
      2  -0.203184D+01 -0.213830D+01  0.371955D+01 -0.418031D+01 -0.191227D+01
      3   0.177561D+02 -0.230495D+01 -0.102758D+01  0.134110D+02  0.138255D+01
                51            52            53            54            55 
      1  -0.233159D+01  0.230019D+01  0.325345D+01  0.342113D-01  0.252984D+01
      2   0.103506D+01 -0.280788D+01  0.758716D+00 -0.605506D+00 -0.795612D+01
      3  -0.536233D+01 -0.154923D+02 -0.181180D+01 -0.139861D+01  0.291033D+02
                56            57            58            59            60 
      1   0.174055D+01 -0.657561D-01  0.438244D+01 -0.321087D+01  0.284320D+01
      2  -0.781652D+00 -0.278735D+01 -0.463922D+01 -0.124176D+02  0.817352D+01
      3   0.133643D+02 -0.457679D-01  0.433675D+02  0.865387D+01  0.813327D+01
                61            62            63            64            65 
      1  -0.347320D+00  0.800942D+01  0.451915D+01 -0.222412D+01 -0.578546D-01
      2  -0.208767D+02  0.952252D+01  0.166013D+02  0.127530D+02 -0.213229D+00
      3   0.404222D+01  0.108872D+02 -0.515567D+01 -0.305978D+02 -0.163836D+02
                66            67            68            69            70 
      1  -0.813697D+00 -0.375869D+01 -0.245397D+01 -0.287928D+01  0.268839D+01
      2   0.591335D+01  0.525861D+01  0.160499D+02 -0.115944D+02 -0.147034D+01
      3   0.186476D+01 -0.301041D+02 -0.853725D+01 -0.136116D+02 -0.683038D+01
                71            72            73            74            75 
      1   0.520373D+01  0.196508D+01 -0.191980D+01 -0.631161D+01  0.719605D+00
      2  -0.967140D+01 -0.180015D+02 -0.187179D+02  0.527200D+01  0.336270D+01
      3  -0.149137D+02  0.734604D+01  0.184280D+02  0.973659D+01 -0.253925D+01
                76            77            78            79            80 
      1  -0.929702D+01  0.192103D+01 -0.142004D+02  0.495508D+00 -0.693739D+01
      2   0.645197D+01 -0.112047D+02  0.114778D+02  0.344059D+01  0.972253D+01
      3   0.185845D+02  0.135585D+01  0.174139D+02 -0.262731D+01  0.130548D+02
                81            82            83            84            85 
      1   0.295721D+01  0.634121D+01  0.410079D+01  0.145168D+01  0.592463D+01
      2   0.119155D+02 -0.247113D+00 -0.375333D+01 -0.228564D+01 -0.697796D+01
      3  -0.937777D+01  0.257290D+02  0.417065D+01 -0.252234D+01  0.800857D+01
                86            87            88            89            90 
      1   0.916158D+01 -0.461503D+01  0.318325D+01  0.332917D+01 -0.162936D+02
      2  -0.140529D+02  0.108046D+02 -0.579097D+01  0.653441D+01  0.216865D+02
      3   0.172381D+01  0.101622D+02  0.731668D+00  0.116259D+02 -0.659773D+01
                91            92            93            94            95 
      1   0.118996D+00  0.343734D+00  0.219856D+01  0.246149D+01 -0.204393D+01
      2  -0.484174D+01 -0.386468D+01 -0.601827D-01 -0.430243D+01 -0.202533D+01
      3  -0.407175D+01  0.160610D+00  0.348126D+01  0.363910D+02 -0.193169D+02
                96            97            98            99           100 
      1  -0.336721D+01  0.291151D+01  0.517596D+01 -0.143303D+01 -0.608754D+00
      2  -0.663924D+01 -0.163672D+02 -0.655584D+01  0.157135D+02  0.259265D+01
      3  -0.234904D+01  0.288505D+01  0.398938D+01  0.515039D+01  0.125198D+02
               101           102           103           104           105 
      1  -0.570638D+01 -0.555106D+01  0.539189D+00 -0.117171D+00  0.301809D+01
      2   0.372607D+01  0.501985D+01  0.199716D+01  0.120746D+01  0.138625D+02
      3  -0.126901D+02 -0.564181D+01 -0.604649D+01  0.489368D+01  0.319588D+01
               106           107           108           109           110 
      1  -0.778325D+01  0.177171D+00 -0.413598D+01  0.440859D+01  0.281547D+01
      2  -0.423660D+01  0.104859D+02 -0.165860D+02  0.834847D+01 -0.261051D+01
      3  -0.142723D+02  0.165676D+02 -0.646229D+01 -0.345715D+00 -0.522890D+01
               111           112           113           114           115 
      1   0.422651D+01 -0.813356D+00  0.861385D-01 -0.726159D+01  0.487555D+01
      2   0.861645D+01 -0.326425D+00  0.719192D+01 -0.107900D+02  0.393321D+01
      3   0.735074D+00 -0.600646D+01  0.124031D+02 -0.756918D+01  0.159313D+02
               116           117           118           119           120 
      1   0.484203D+01  0.118063D+02 -0.382258D+01  0.275564D+01  0.202059D+00
      2  -0.653105D+01  0.291170D+02 -0.523628D+01 -0.132141D+01 -0.467195D-01
      3  -0.211047D+02  0.587560D+01 -0.173485D+01  0.663508D+01  0.445601D+01
               121           122           123           124           125 
      1   0.405731D+00 -0.559600D+01 -0.282371D+01 -0.226583D+01  0.759277D+01
      2  -0.286182D+01 -0.322679D+01 -0.196803D+01 -0.127939D+01 -0.781171D+01
      3   0.698127D+01 -0.179063D+02  0.178018D+01 -0.297319D+01  0.791077D+01
               126           127           128           129           130 
      1  -0.677428D+01 -0.233269D+01 -0.202842D+01  0.113829D+01 -0.445012D+00
      2  -0.146519D+02  0.456195D+01  0.126273D+01 -0.129475D+01  0.376925D+00
      3   0.846885D+01 -0.441987D+00 -0.884147D+00  0.824511D+00  0.721758D+00
               131           132           133           134           135 
      1  -0.137373D+01  0.271893D-01  0.339618D+01  0.540810D+01 -0.545043D+01
      2  -0.445774D-01  0.431637D+00 -0.508545D+01 -0.665899D+00 -0.194838D+01
      3  -0.368798D+00  0.292383D+00  0.107596D+01  0.217531D+01 -0.171446D+01
               136           137           138           139           140 
      1  -0.257039D+01  0.311423D+01 -0.853995D+00  0.108119D+01 -0.130787D+01
      2  -0.811239D+01  0.189916D+01 -0.118880D+01  0.222226D+01 -0.577997D+00
      3   0.483398D+00 -0.147765D+01  0.796623D+00  0.274738D+00  0.134688D+01
               141           142           143           144           145 
      1  -0.384370D+00 -0.209271D+01  0.408692D+01 -0.278707D+01  0.192960D+01
      2   0.239170D+00 -0.422144D+01  0.736536D+00  0.470339D+00  0.414118D+01
      3  -0.432484D+00  0.581699D+00 -0.246361D+01  0.171922D+01  0.283814D+01
               146           147           148           149           150 
      1  -0.862675D+00 -0.251618D+01  0.993401D+00  0.493345D-01 -0.366250D+01
      2   0.434439D+00 -0.115560D+01  0.370613D+00 -0.164037D+00  0.514422D+00
      3   0.131183D+00 -0.224481D+01  0.149693D+01 -0.264942D+00 -0.598249D+00
               151           152           153           154           155 
      1  -0.186793D+01  0.197899D+01  0.606314D+01  0.290113D+01  0.119726D+01
      2  -0.453385D+01 -0.492363D+00 -0.697226D+00 -0.465153D+01  0.117385D+00
      3  -0.253248D+01  0.548022D+00  0.235216D+01 -0.550719D+01 -0.947750D+00
               156           157           158           159           160 
      1   0.266587D+01 -0.192496D+01  0.254678D+00 -0.371137D+01  0.287403D+01
      2  -0.319469D+00  0.175612D+01  0.215793D+00 -0.114229D+01 -0.235444D+01
      3  -0.257643D+01  0.450762D+01  0.535002D+00  0.917720D+00 -0.311507D+01
               161           162           163           164           165 
      1   0.105323D+01  0.478869D+01 -0.127967D+01 -0.519688D+00  0.135717D+01
      2  -0.369538D+00  0.194284D+01 -0.589318D+01  0.779612D+00  0.523343D+01
      3  -0.137590D+01 -0.186222D+01 -0.155759D+01 -0.395260D+01  0.796182D+00
               166           167           168           169           170 
      1  -0.343034D+00 -0.126783D+00 -0.199458D+01  0.268335D+01  0.103306D+01
      2   0.192052D+01 -0.314987D+01 -0.467678D+01  0.544354D+01 -0.886394D+01
      3  -0.544729D+01  0.206751D+01  0.300732D+01  0.363172D+01  0.553645D+01
               171           172           173           174           175 
      1  -0.720512D+01  0.171422D+01 -0.146376D+01  0.174913D+01 -0.248665D+01
      2  -0.225959D+02  0.673937D+01 -0.249685D+01  0.467038D+01 -0.313052D+01
      3   0.407741D+01  0.220821D+01 -0.719855D+01  0.982410D-01 -0.580929D+01
               176           177           178           179           180 
      1   0.418220D+01 -0.468850D+01  0.156786D+01 -0.221051D+01  0.285030D+01
      2   0.744310D+01 -0.536530D+01  0.429182D+01 -0.645150D+01  0.384136D+01
      3   0.155127D+02 -0.385184D+01 -0.316573D+01 -0.873537D+01  0.367697D+01
               181           182           183           184           185 
      1   0.263485D+00 -0.581195D+00 -0.234641D+00  0.149989D+00  0.521541D+00
      2  -0.386460D+01  0.650246D+00  0.925861D+01 -0.534115D+00 -0.326046D+01
      3   0.581926D+01 -0.863878D+01 -0.965981D+00 -0.148606D+01  0.483271D+01
               186           187           188           189           190 
      1  -0.927599D+00 -0.426073D+00  0.105945D+01 -0.167988D+00  0.349622D+01
      2  -0.147079D+00  0.622918D+01  0.380115D+00 -0.738996D+00  0.254921D+01
      3   0.346425D+01  0.797931D+00  0.428777D+01 -0.675282D+00 -0.948648D+01
               191           192           193           194           195 
      1   0.509955D+01 -0.439032D+00  0.568318D+01  0.729644D+01  0.299714D+00
      2   0.366806D+00  0.621096D+01  0.161438D+00  0.498235D+01  0.709554D+01
      3  -0.115565D+02 -0.373589D+01 -0.108506D+02 -0.190166D+02 -0.946994D+01
               196           197           198           199           200 
      1   0.111851D+01  0.284994D+01  0.743868D+00 -0.249834D+01  0.321710D+01
      2   0.252270D+01  0.300746D+01  0.332897D+01  0.554905D+01 -0.139000D+01
      3  -0.182037D+01 -0.531405D+01 -0.399795D+01  0.266611D+01 -0.611679D+01
               201           202           203           204           205 
      1  -0.188921D+01  0.288918D+01 -0.997044D+01  0.533648D+01 -0.215345D+01
      2   0.470144D+01 -0.136774D+01  0.918998D+01 -0.137576D+02  0.132560D+01
      3   0.323370D+01 -0.351690D+01  0.152697D+02 -0.104574D+02  0.260958D+01
               206           207           208           209           210 
      1   0.768864D+01 -0.566444D+01 -0.176311D+01 -0.262376D+01  0.121211D+01
      2  -0.801228D+01  0.132364D+02  0.204224D+02 -0.337939D+01 -0.808074D+01
      3  -0.882213D+01  0.879517D+01 -0.968532D+01  0.327617D+01  0.391948D+01
               211           212           213           214           215 
      1  -0.121720D+01  0.316413D+00  0.273038D-01  0.115347D+01  0.209496D+01
      2  -0.279186D+01  0.509852D+01  0.227834D+01 -0.860054D+01  0.112806D+01
      3   0.408431D+01 -0.315687D+01 -0.361833D+01  0.219648D+01 -0.219327D+01
               216           217           218           219           220 
      1  -0.248549D+00 -0.945680D+00  0.203031D+01  0.259038D+01  0.107992D+01
      2   0.535905D+01 -0.746923D+01  0.194238D+01 -0.113261D+01  0.193578D+01
      3  -0.168818D+01 -0.216579D+02  0.714996D+01  0.224634D+00  0.722516D+01
               221           222           223           224           225 
      1  -0.173537D+01 -0.107291D+01  0.177231D+01  0.452541D+00  0.509213D-01
      2  -0.851145D+00 -0.335896D+00 -0.304076D+01 -0.125632D+00 -0.181010D+01
      3  -0.684239D+01 -0.757903D+00  0.160025D+01 -0.284682D+01 -0.169487D+01
               226           227           228           229           230 
      1   0.150417D+01 -0.534721D+00 -0.139482D+01 -0.211239D+00  0.181799D+01
      2  -0.470773D+01 -0.305649D+00  0.282847D+01 -0.576505D+00 -0.204802D+01
      3  -0.258189D+01 -0.236426D+01 -0.985239D+00 -0.312919D+00  0.133072D+01
               231           232           233           234           235 
      1   0.198870D+01 -0.139712D+01  0.456240D+01  0.161888D+02 -0.448600D+01
      2  -0.450512D+01 -0.615170D+00  0.959195D+00 -0.316941D+02  0.386418D+01
      3   0.196974D+01 -0.114562D+01  0.464747D+01 -0.187890D+01 -0.749393D+01
               236           237           238           239           240 
      1  -0.462518D+01 -0.315067D+01 -0.570085D+01 -0.862292D+01 -0.390344D+01
      2   0.270361D+01  0.540783D+01  0.363809D+01  0.426596D+01  0.362164D+01
      3  -0.113358D+02  0.128455D+01 -0.682526D+01 -0.215132D+02  0.323214D-01
               241           242           243           244           245 
      1  -0.241876D+01 -0.191591D+01 -0.951540D+00  0.204101D+00 -0.277666D+00
      2   0.359968D+01  0.301353D+01  0.307726D+00 -0.565883D+01  0.108547D+00
      3  -0.919665D+00 -0.558410D+01 -0.139797D+01 -0.300580D+01 -0.160096D+01
               246           247           248           249           250 
      1  -0.818608D+00 -0.199072D-02 -0.450456D-01 -0.100669D+01 -0.122429D+01
      2   0.379268D+01  0.251272D+00 -0.267486D+01  0.421567D+01  0.122336D+01
      3  -0.462180D+00 -0.593739D+00 -0.107181D+01  0.288447D+01 -0.954347D+00
               251           252           253           254           255 
      1   0.268372D+01  0.322980D+01 -0.197766D+01  0.919247D+00 -0.218349D+01
      2   0.381766D+01 -0.187627D+02  0.157125D+02  0.367981D+01  0.624250D+01
      3   0.376799D+01 -0.221695D+01 -0.173520D+02 -0.151939D+02  0.100830D-01
               256           257           258           259           260 
      1  -0.151150D+01 -0.583032D+01 -0.378365D+01 -0.508746D+00  0.122878D+01
      2   0.485192D+01  0.436343D+01  0.611371D+01  0.428071D+01  0.502795D+01
      3  -0.608612D+01  0.223749D+02 -0.317151D+01  0.127266D+01 -0.617252D+01
               261           262           263           264           265 
      1   0.889491D+01  0.837225D+00 -0.126789D+01  0.668126D+00 -0.263634D+01
      2  -0.188508D+02 -0.786962D+00  0.467292D+00  0.111320D+01  0.279575D+00
      3  -0.467797D+01  0.298489D+01 -0.434603D+01 -0.182469D+01 -0.460021D+01
               266           267           268           269           270 
      1   0.942241D+01 -0.218737D+01  0.352224D+00 -0.102020D+01  0.893526D+00
      2  -0.466298D+01 -0.562857D+01  0.166548D+00 -0.180174D+01 -0.142285D+01
      3   0.312061D+02  0.673141D+01  0.150773D+01 -0.505841D+01  0.176373D+01
               271           272           273           274           275 
      1   0.119917D+01  0.516921D+00 -0.214319D+01  0.882085D+00  0.641701D+00
      2  -0.840956D+01 -0.185984D+00  0.778345D+01 -0.726565D+00 -0.144217D+01
      3   0.161279D+02 -0.580467D+01 -0.117719D+01 -0.429022D+01 -0.345124D+00
               276           277           278           279           280 
      1  -0.876900D-01 -0.212271D+01  0.621445D+00 -0.678501D-01  0.142043D+01
      2  -0.724598D+00  0.474112D+01 -0.268233D+00 -0.342443D+00 -0.113880D+01
      3   0.883642D+00 -0.186121D+01  0.192440D+01  0.197206D+01 -0.482574D+01
               281           282           283           284           285 
      1  -0.651389D+00  0.151626D+01 -0.326168D+00  0.505368D+01 -0.400314D+01
      2  -0.105693D+01 -0.121551D+01 -0.817098D+00  0.128078D+00  0.295134D+01
      3   0.805098D+01 -0.783135D-01  0.473089D+01 -0.307420D+02  0.456965D+00
               286           287           288           289           290 
      1   0.622005D+00 -0.105230D+01  0.397444D+00 -0.172900D+01 -0.585561D+00
      2  -0.153819D+01  0.257999D+01  0.574336D+00  0.431839D+01 -0.357497D-02
      3  -0.110630D+01  0.393294D+01 -0.280429D+01  0.158076D+01  0.883974D+00
               291           292           293           294           295 
      1   0.391682D+00 -0.235349D+00 -0.213964D+01  0.101389D+01 -0.290601D+00
      2  -0.170649D+01  0.137135D+01  0.209814D+01 -0.332084D+01 -0.181951D+01
      3   0.108005D+01  0.780967D+00  0.187209D+00 -0.183767D+01  0.146359D+01
               296           297 
      1   0.349788D+01 -0.110797D+02
      2  -0.375346D-01  0.248164D+02
      3  -0.441107D+01  0.990159D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.173410D+01 -0.760429D+01  0.179150D+02  0.143327D+02 -0.124841D+01
      2   0.858371D+01  0.353387D+01 -0.704605D+01 -0.418948D+01  0.215332D+01
      3  -0.684961D+01  0.407042D+01 -0.108689D+02 -0.101432D+02 -0.904909D+00
      4   0.904102D+00  0.299877D+01 -0.116996D+01  0.894388D+01  0.522039D+01
      5   0.195319D+02 -0.874588D-01 -0.788130D+01 -0.101940D+02 -0.374271D+01
      6  -0.165574D+00 -0.305706D+01  0.127801D+01 -0.149425D+01  0.390696D+01
                 6             7             8             9            10 
      1  -0.186496D+02 -0.234810D+02 -0.919992D+01  0.453690D+01  0.575258D+02
      2   0.233120D+01  0.440016D+01  0.198891D+01  0.454543D+01 -0.288735D+02
      3   0.163184D+02  0.190808D+02  0.721100D+01 -0.908233D+01 -0.286523D+02
      4  -0.431741D+01  0.458852D+01 -0.215298D+01 -0.471397D+01 -0.106066D+02
      5  -0.313014D+01  0.926015D+01 -0.413674D+01  0.598783D+01 -0.115269D+02
      6   0.124624D+02 -0.655397D+01  0.518172D+01  0.139005D+02  0.322103D+01
                11            12            13            14            15 
      1   0.807358D+01 -0.246120D+01  0.146051D+02 -0.262300D+01  0.493118D+01
      2  -0.708642D+01  0.451527D+01 -0.143990D+02  0.769854D+01 -0.447372D+00
      3  -0.987157D+00 -0.205407D+01 -0.206058D+00 -0.507554D+01 -0.448381D+01
      4   0.178158D+01 -0.373566D+01  0.164771D+02 -0.743019D+01 -0.103622D+01
      5  -0.462863D+01  0.998572D+01  0.120559D+02 -0.534631D+00 -0.287544D+01
      6   0.133419D+01 -0.649789D+01 -0.486450D+01  0.426559D+01  0.896626D+01
                16            17            18            19            20 
      1  -0.817013D+01  0.401490D+01 -0.180472D+02 -0.139950D+01  0.438810D+01
      2  -0.110426D+01  0.483530D+01  0.252749D+01 -0.326278D+01 -0.220032D+01
      3   0.927440D+01 -0.885020D+01  0.155197D+02  0.466229D+01 -0.218778D+01
      4   0.121633D+02  0.461957D+00 -0.394486D+01  0.183785D+01 -0.919054D+00
      5  -0.128474D+02 -0.363944D+01 -0.355519D+01 -0.169050D+02  0.327806D+01
      6  -0.621591D+01  0.250302D+01 -0.338918D+01  0.354014D+01  0.430661D+01
                21            22            23            24            25 
      1  -0.221418D+02 -0.101810D+02 -0.506107D+01 -0.488935D+01  0.243312D+02
      2   0.590764D+01 -0.190618D+01  0.597069D+01 -0.112794D+00  0.544385D-01
      3   0.162342D+02  0.120872D+02 -0.909626D+00  0.500214D+01 -0.243856D+02
      4   0.359454D+01  0.316553D+01 -0.106716D+01  0.367553D+01  0.464660D+01
      5  -0.170966D+01  0.152657D+01  0.157199D+01  0.758736D+01  0.124656D+02
      6   0.517248D+01  0.290494D+01  0.220707D+01  0.671948D+01  0.107567D+02
                26            27            28            29            30 
      1  -0.866870D+01  0.635519D+01  0.229856D+02 -0.208392D+01  0.172581D+01
      2   0.177571D+01 -0.229682D+01 -0.401313D+01  0.548506D+01  0.661501D+00
      3   0.689299D+01 -0.405837D+01 -0.189724D+02 -0.340114D+01 -0.238731D+01
      4   0.396510D+01  0.661302D+01  0.252270D+02  0.209631D+01 -0.180897D+01
      5   0.529845D+01 -0.555480D+01  0.546319D+01 -0.136819D+01  0.693057D+01
      6   0.120511D+01  0.993903D+01  0.442087D+01 -0.974510D+00  0.489653D+01
                31            32            33            34            35 
      1  -0.122058D+01 -0.202801D+00  0.688593D+01 -0.708272D+01  0.948025D+01
      2   0.668767D+01  0.439275D+01 -0.230302D+01  0.112371D+01  0.163713D+01
      3  -0.546709D+01 -0.418995D+01 -0.458292D+01  0.595901D+01 -0.111174D+02
      4   0.154491D+02 -0.965973D-01  0.135294D+01  0.105727D+02  0.513424D+01
      5   0.108738D+02  0.499995D+00  0.310288D+00 -0.155112D+02  0.240627D+01
      6  -0.115760D+01  0.365393D+01  0.574339D+01 -0.107344D+01  0.208782D+01
                36            37            38            39            40 
      1  -0.166135D+02  0.508679D+01 -0.109844D+02  0.179913D+02  0.421789D+01
      2   0.246325D+01  0.391130D+00  0.109844D+02 -0.115042D+02  0.466797D+01
      3   0.141503D+02 -0.547792D+01 -0.714461D-04 -0.648711D+01 -0.888586D+01
      4   0.133844D+01 -0.923612D+01 -0.167963D+01  0.348363D+01  0.163030D+02
      5  -0.133579D+01  0.842753D+01  0.228621D+01 -0.112585D+02 -0.221281D+01
      6  -0.694353D+01 -0.119659D+01 -0.531858D+01  0.520821D+01  0.226329D+00
                41            42            43            44            45 
      1  -0.977448D+01 -0.704710D+01 -0.201181D+02 -0.395428D+01  0.828119D+01
      2   0.156947D+02 -0.990917D+01  0.154328D+01 -0.298819D+01 -0.293639D+00
      3  -0.592022D+01  0.169563D+02  0.185748D+02  0.694247D+01 -0.798755D+01
      4   0.680733D+01 -0.241471D+01 -0.216793D+01 -0.252490D+01 -0.679621D+01
      5  -0.119257D+01 -0.115870D+01  0.538481D+01 -0.584398D+01  0.911819D+01
      6  -0.622776D+01  0.467575D+01 -0.103824D+02  0.451165D+00  0.916265D+01
                46            47            48            49            50 
      1  -0.528785D+01  0.866489D+01 -0.206052D+02 -0.257458D+01 -0.140049D+02
      2   0.267955D+01 -0.698892D+01  0.605072D+01 -0.681256D+01  0.226969D+02
      3   0.260830D+01 -0.167598D+01  0.145545D+02  0.938714D+01 -0.869201D+01
      4   0.106880D+02  0.414410D+00  0.560257D+01  0.836979D+01 -0.681811D+01
      5  -0.856609D+01  0.593380D+01 -0.168655D+01  0.108110D+02  0.267174D+01
      6   0.464266D+01  0.378747D+01 -0.418917D+01 -0.179523D+01 -0.559179D+01
                51            52            53            54            55 
      1   0.662527D+01  0.365486D+02 -0.250875D+01  0.999755D+01 -0.361696D+02
      2  -0.120924D+02 -0.119026D+02 -0.480084D+00 -0.608406D+01  0.166192D+02
      3   0.546710D+01 -0.246461D+02  0.298884D+01 -0.391349D+01  0.195504D+02
      4   0.122431D+01 -0.290432D+01 -0.530359D+00  0.758909D+01 -0.621614D+01
      5   0.719180D+01  0.367714D+01  0.701844D+01 -0.526655D+01 -0.362295D+01
      6   0.360854D+01  0.116787D+02 -0.368188D+01  0.689027D+01  0.292096D+00
                56            57            58            59            60 
      1  -0.109103D+02 -0.528082D+01 -0.379356D+02 -0.251867D+02  0.156617D+01
      2   0.794187D+01  0.119269D+00  0.269790D+02  0.532965D+01  0.605596D+01
      3   0.296839D+01  0.516155D+01  0.109566D+02  0.198570D+02 -0.762213D+01
      4  -0.285966D+02  0.670329D+00 -0.487348D+02  0.151313D+02 -0.154822D+02
      5   0.492726D+00 -0.129586D+02 -0.548314D+00 -0.149198D+02  0.143544D+02
      6   0.322540D+00  0.167874D+01  0.292195D-01  0.363762D+01 -0.518138D+01
                61            62            63            64            65 
      1  -0.160076D+02  0.833108D+00 -0.133973D+01 -0.888475D+02  0.309772D+02
      2  -0.202199D+01  0.763787D+01  0.702007D+01  0.485758D+02 -0.141571D+02
      3   0.180296D+02 -0.847098D+01 -0.568035D+01  0.402716D+02 -0.168200D+02
      4  -0.109982D+01 -0.201554D+02  0.259122D+02  0.301430D+02  0.240837D+02
      5  -0.242854D+02  0.226767D+02  0.376898D+02  0.263108D+02 -0.285054D+01
      6   0.116672D+02 -0.523883D+01 -0.117223D+02  0.105010D+01 -0.289095D+01
                66            67            68            69            70 
      1   0.255845D+02  0.686459D+02  0.245055D+02 -0.828644D+01  0.386897D+02
      2  -0.143937D+02 -0.323260D+02 -0.115510D+02  0.821672D+01 -0.158916D+02
      3  -0.111908D+02 -0.363200D+02 -0.129546D+02  0.697164D-01 -0.227981D+02
      4  -0.154752D+01  0.322214D+02  0.862276D+01  0.242887D+02  0.280338D+01
      5   0.583225D+01 -0.271478D+01  0.255535D+02 -0.204616D+02 -0.132460D+01
      6   0.133554D+01  0.218123D+01  0.651316D+01 -0.381539D+01 -0.299731D+01
                71            72            73            74            75 
      1  -0.400229D+01  0.586426D+00  0.345488D+02 -0.243642D+02 -0.210707D+02
      2   0.791203D+01 -0.316473D+00 -0.178198D+02  0.604735D+01  0.113152D+02
      3  -0.390974D+01 -0.269953D+00 -0.167290D+02  0.183169D+02  0.975550D+01
      4   0.227597D+02 -0.162002D+02 -0.232577D+02 -0.323470D+02 -0.572240D+01
      5  -0.166120D+02 -0.334319D+02 -0.130747D+02 -0.795126D+01 -0.180885D+02
      6  -0.470506D+01 -0.501013D+01 -0.151397D+02 -0.911513D+01 -0.415548D+00
                76            77            78            79            80 
      1  -0.325158D+02 -0.280616D+02 -0.140759D+01 -0.232231D+02  0.124428D+01
      2   0.836667D+01  0.186597D+02 -0.111652D+02  0.112413D+02 -0.112328D+02
      3   0.241491D+02  0.940187D+01  0.125728D+02  0.119818D+02  0.998854D+01
      4  -0.423436D+02 -0.110010D+02 -0.384009D+02 -0.221190D+01 -0.274671D+02
      5  -0.949010D+01 -0.451011D+02  0.212876D+02 -0.102387D+02  0.190041D+02
      6  -0.152576D+02 -0.542650D+01 -0.107114D+02  0.176780D+01 -0.892893D+01
                81            82            83            84            85 
      1  -0.946957D+01  0.348373D+02 -0.225172D+02 -0.125707D+02 -0.305588D+02
      2  -0.499336D+00 -0.352960D+02  0.380249D+00  0.646960D+01  0.134852D+01
      3   0.996891D+01  0.458682D+00  0.221369D+02  0.610113D+01  0.292103D+02
      4   0.166815D+02 -0.192387D+02 -0.393978D+02 -0.873239D+00 -0.400277D+02
      5   0.136358D+02 -0.153980D+02  0.590241D+01 -0.415910D+01  0.361286D+01
      6   0.124869D+02  0.726089D+00  0.438564D+01 -0.261068D+01  0.277100D+01
                86            87            88            89            90 
      1  -0.267235D+02  0.844323D+01 -0.147271D+02  0.252068D+01  0.266604D+01
      2   0.343640D+00 -0.667748D+01  0.180382D+01 -0.763564D+01  0.220847D+02
      3   0.263798D+02 -0.176575D+01  0.129233D+02  0.511496D+01 -0.247508D+02
      4  -0.313730D+02 -0.157750D+02 -0.109515D+02 -0.229676D+02  0.958968D+01
      5  -0.136392D+02  0.204563D+02 -0.258957D+01  0.125216D+02  0.498010D+02
      6  -0.661226D+01  0.102346D+02 -0.108953D+01  0.956633D+01  0.116580D+02
                91            92            93            94            95 
      1   0.714215D+01 -0.517425D+01 -0.196109D+01 -0.116751D+02 -0.170450D+02
      2  -0.830729D+01 -0.132440D+01 -0.533709D+00  0.736456D+01  0.589495D+01
      3   0.116515D+01  0.649866D+01  0.249479D+01  0.431051D+01  0.111501D+02
      4  -0.231047D+02 -0.156761D+02 -0.833666D+01 -0.432197D+02  0.193814D+02
      5  -0.815850D+01 -0.763709D+01 -0.890745D+01 -0.137815D+02 -0.541485D+00
      6  -0.563430D+01 -0.200091D+01 -0.425797D+01 -0.201711D+01 -0.553273D+01
                96            97            98            99           100 
      1  -0.705769D+01 -0.164603D+02 -0.985932D+01 -0.130281D+01 -0.618021D+01
      2   0.301180D+00  0.158819D+00 -0.719444D+00  0.783156D+01  0.230678D+00
      3   0.675651D+01  0.163015D+02  0.105788D+02 -0.652874D+01  0.594953D+01
      4   0.891053D-01 -0.208546D+02 -0.130686D+02 -0.161375D+02  0.157159D+02
      5  -0.128177D+02 -0.148860D+02 -0.152164D+02  0.308502D+02 -0.163544D+02
      6  -0.320030D+01 -0.814823D+01 -0.256085D+01  0.927079D+01  0.557132D+01
               101           102           103           104           105 
      1   0.708936D+01 -0.728425D+01  0.233334D+02  0.123606D+01  0.101066D+02
      2  -0.111370D+00  0.529423D+01 -0.167459D+02  0.588707D+01 -0.227349D+01
      3  -0.697799D+01  0.199002D+01 -0.658747D+01 -0.712313D+01 -0.783310D+01
      4  -0.452674D+01  0.785447D+01 -0.181543D+01 -0.194222D+02 -0.481128D+01
      5   0.712483D+01 -0.293455D+01  0.827108D+01 -0.435475D+01  0.256093D+02
      6  -0.626772D+01  0.547420D+01 -0.163672D+01 -0.710368D+00 -0.160005D+02
               106           107           108           109           110 
      1  -0.255598D+02  0.112891D+02 -0.422716D+01  0.441809D+02 -0.137141D+02
      2   0.818051D+01  0.524740D+01  0.273101D+01 -0.201781D+02  0.389264D+01
      3   0.173793D+02 -0.165365D+02  0.149615D+01 -0.240028D+02  0.982141D+01
      4   0.245278D+02 -0.238827D+02  0.213323D+02 -0.267633D+02  0.217995D+02
      5  -0.192607D+02  0.193211D+02 -0.222003D+02  0.303013D+02 -0.654370D+01
      6   0.113837D+02 -0.183148D+02  0.520486D+01 -0.114263D+02  0.427107D+01
               111           112           113           114           115 
      1   0.232391D+02 -0.182890D+02  0.427184D+01 -0.166901D+01  0.426085D+02
      2  -0.137368D+02  0.321961D+01  0.792024D+01 -0.173909D+01 -0.192310D+02
      3  -0.950233D+01  0.150694D+02 -0.121921D+02  0.340810D+01 -0.233775D+02
      4  -0.107613D+02  0.266920D+02 -0.237387D+02  0.177225D+02 -0.280657D+02
      5   0.217260D+02 -0.124235D+02  0.170501D+02 -0.201080D+02  0.350721D+02
      6  -0.764459D+01  0.614487D+01 -0.121577D+02  0.181285D+02 -0.113890D+02
               116           117           118           119           120 
      1  -0.515508D+01  0.993907D+01 -0.219085D+00 -0.102092D+02 -0.125195D+02
      2  -0.509445D+01 -0.138012D+02 -0.283827D+01  0.123615D+02  0.789993D+01
      3   0.102495D+02  0.386210D+01  0.305735D+01 -0.215236D+01  0.461958D+01
      4   0.350197D+02 -0.192594D+02  0.788695D+00 -0.561944D+01  0.321395D+01
      5  -0.177030D+02  0.562457D+02 -0.753391D+01 -0.141887D+01  0.583478D+01
      6   0.168609D+02 -0.277344D+02  0.363125D+01  0.594427D+01  0.165926D+01
               121           122           123           124           125 
      1  -0.766982D+01 -0.167706D+01 -0.527186D+01 -0.138647D+02 -0.795548D+01
      2   0.150851D+02 -0.216818D+02  0.646434D+00  0.752061D+01  0.652125D+01
      3  -0.741526D+01  0.233589D+02  0.462542D+01  0.634409D+01  0.143423D+01
      4  -0.984702D+01  0.479671D+02 -0.293014D+00  0.124643D+02 -0.142719D+02
      5   0.105344D+01  0.330660D+00 -0.466700D+01  0.168604D+02 -0.169317D+02
      6   0.339312D+01 -0.593580D+00  0.102104D+02 -0.683169D+01  0.208658D+02
               126           127           128           129           130 
      1  -0.103106D+02 -0.312953D+00  0.612126D+00  0.270764D+01 -0.237378D+01
      2  -0.654057D+01 -0.540770D+01 -0.157752D+01  0.562353D+01 -0.686031D+00
      3   0.168512D+02  0.572066D+01  0.965399D+00 -0.833117D+01  0.305981D+01
      4  -0.149011D+02  0.159248D+01  0.251483D+01 -0.796326D+00  0.137267D+01
      5  -0.323844D+02 -0.922756D+01 -0.245791D+01  0.117907D+02 -0.225269D+01
      6   0.235452D+02  0.417658D+00 -0.141465D+01 -0.123780D+01 -0.122868D+01
               131           132           133           134           135 
      1  -0.326949D+01  0.737060D+01  0.361416D+01  0.382655D+01 -0.231513D+02
      2  -0.678959D+00  0.322211D+01  0.717586D+01  0.250463D+01 -0.160286D+02
      3   0.394845D+01 -0.105927D+02 -0.107900D+02 -0.633118D+01  0.391799D+02
      4   0.103019D+01 -0.159554D+01 -0.224792D+01 -0.354428D+01  0.252697D+01
      5  -0.270625D+01  0.377279D+01  0.124096D+02  0.419346D+01 -0.200345D+02
      6  -0.262129D+01  0.218218D+01  0.577878D+00  0.517529D+01 -0.106724D+01
               136           137           138           139           140 
      1   0.270961D+01  0.218303D+00 -0.168679D+01  0.523253D+00 -0.211644D+01
      2  -0.533045D+01  0.975195D+00 -0.420080D+01  0.222449D+01 -0.348239D+00
      3   0.262084D+01 -0.119350D+01  0.588759D+01 -0.274775D+01  0.246468D+01
      4  -0.208549D+01  0.345352D+01 -0.116811D+01  0.225929D+01 -0.283324D+01
      5   0.111160D+02 -0.317227D+01  0.972274D+01 -0.443685D+01  0.342820D+01
      6  -0.783596D+00  0.178947D+01 -0.967489D+00  0.762708D+00 -0.293804D+01
               141           142           143           144           145 
      1   0.510137D+01 -0.388279D+01  0.424369D+01 -0.127090D+02 -0.315470D+01
      2   0.232065D+01 -0.529435D+01  0.121567D+01 -0.852376D+01 -0.262244D+01
      3  -0.742203D+01  0.917715D+01 -0.545936D+01  0.212327D+02  0.577713D+01
      4   0.120736D+01 -0.171056D+01  0.287287D+01 -0.214379D+01  0.542045D+01
      5  -0.606717D+01  0.119564D+02 -0.435163D+01  0.152504D+02 -0.883766D+01
      6   0.251808D+01 -0.197682D+01  0.477809D+01 -0.359411D+01 -0.589726D+01
               146           147           148           149           150 
      1  -0.170598D+01  0.569013D+01 -0.274810D+01 -0.527869D+01  0.915400D+01
      2   0.214590D+00  0.284646D+01 -0.371898D+00  0.150161D+01  0.413977D-01
      3   0.149139D+01 -0.853659D+01  0.312000D+01  0.377708D+01 -0.919539D+01
      4   0.358102D+01 -0.559234D+01  0.227256D+01  0.185570D+01 -0.293515D+01
      5  -0.347112D+01  0.116787D+02 -0.299132D+01 -0.261535D+01  0.364262D+01
      6  -0.344515D+01  0.643265D+01 -0.300359D+01 -0.592860D+01  0.961842D+01
               151           152           153           154           155 
      1   0.770841D+01  0.112915D+02 -0.300248D+02  0.265233D+01  0.243841D+01
      2   0.196651D+01 -0.296462D+01 -0.546949D+01 -0.192391D+01 -0.295430D+01
      3  -0.967492D+01 -0.832686D+01  0.354943D+02 -0.728420D+00  0.515892D+00
      4  -0.599295D+01 -0.505578D+01  0.825123D+01 -0.109236D+02  0.824014D+01
      5   0.104999D+02  0.515354D+01 -0.169362D+02  0.156720D+02 -0.605041D+01
      6   0.871563D+01  0.131898D+02 -0.247437D+02 -0.879865D+01  0.613445D+01
               156           157           158           159           160 
      1  -0.121194D+01  0.221185D+00 -0.442960D+01  0.493712D+01 -0.426573D+01
      2  -0.129542D+01  0.506809D+00  0.280998D+01 -0.703969D+00 -0.134973D+01
      3   0.250736D+01 -0.727994D+00  0.161962D+01 -0.423315D+01  0.561546D+01
      4  -0.835578D+01  0.548641D+01 -0.642245D+01  0.641275D+01 -0.893178D+01
      5   0.136596D+02 -0.802338D+01  0.559566D+01 -0.888757D+01  0.149569D+02
      6  -0.868087D+01  0.594190D+01 -0.707133D+01  0.921477D+01 -0.107715D+02
               161           162           163           164           165 
      1   0.834182D+01 -0.140193D+02  0.917406D+01 -0.225562D+01 -0.837244D+01
      2  -0.457167D+01 -0.116776D+01 -0.780211D+01  0.658943D+00  0.619904D+01
      3  -0.377014D+01  0.151871D+02 -0.137195D+01  0.159668D+01  0.217340D+01
      4   0.789476D+01 -0.107788D+02 -0.577454D+01  0.983660D+01  0.651322D+01
      5  -0.812239D+01  0.199063D+02 -0.155831D+02  0.473346D+01  0.157967D+02
      6   0.123870D+02 -0.187721D+02  0.462448D+01 -0.183405D+01 -0.313846D+01
               166           167           168           169           170 
      1   0.518891D+01  0.102360D+01 -0.270234D+01 -0.156915D+02 -0.462040D+01
      2  -0.370204D+01  0.489325D+00  0.118402D+01  0.141338D+02  0.573949D+00
      3  -0.148687D+01 -0.151293D+01  0.151832D+01  0.155771D+01  0.404645D+01
      4   0.116392D+02 -0.953375D+01 -0.899630D+01  0.128735D+02 -0.143849D+02
      5   0.468239D+01 -0.906690D+01 -0.941180D+01  0.284377D+02 -0.186818D+02
      6  -0.335873D+01  0.637210D+01  0.944508D+01 -0.976419D+01  0.119217D+02
               171           172           173           174           175 
      1  -0.470256D+01  0.207284D+02 -0.100657D+02  0.609812D+01 -0.111980D+02
      2  -0.119501D+02 -0.397751D+01 -0.457567D+00 -0.159890D+01 -0.420159D+01
      3   0.166527D+02 -0.167509D+02  0.105232D+02 -0.449922D+01  0.153996D+02
      4  -0.219039D+02 -0.228541D+02  0.255364D+02 -0.530845D+01  0.336528D+02
      5  -0.502862D+02  0.832662D+01 -0.324535D+01  0.724082D+01 -0.455847D+01
      6   0.198163D+02 -0.255317D+01  0.162254D+00 -0.164763D+01  0.173661D+01
               176           177           178           179           180 
      1   0.376524D+01 -0.547074D+00  0.181276D+02 -0.381746D+00  0.218798D+01
      2   0.182118D+02 -0.420118D+01 -0.470163D+01 -0.688691D+01  0.461966D+00
      3  -0.219771D+02  0.474825D+01 -0.134260D+02  0.726866D+01 -0.264995D+01
      4  -0.471886D+02  0.113994D+02 -0.147209D+02  0.224527D+02 -0.134149D+02
      5   0.102201D+02 -0.841628D+01  0.964836D+01 -0.117981D+02  0.691171D+01
      6  -0.348108D+01  0.520054D+01 -0.417165D+01  0.591381D+01 -0.366989D+01
               181           182           183           184           185 
      1   0.144309D+03 -0.181503D+02 -0.183684D+02 -0.290970D+02  0.138737D+02
      2  -0.736308D+02  0.949740D+01  0.918709D+01  0.144313D+02 -0.527235D+01
      3  -0.706786D+02  0.865288D+01  0.918128D+01  0.146657D+02 -0.860132D+01
      4  -0.144701D+02  0.138738D+02  0.191428D+01  0.174642D+02 -0.889980D+01
      5  -0.220194D+02  0.269583D+01  0.172813D+02  0.296825D+01 -0.660145D+01
      6   0.973651D+00 -0.126625D+01  0.128133D+01 -0.161068D+01  0.267383D-01
               186           187           188           189           190 
      1   0.331209D+01 -0.221937D+02  0.224691D+01  0.172638D+02  0.347503D+02
      2  -0.229230D+01  0.126549D+02 -0.208969D+01 -0.106069D+02 -0.156298D+02
      3  -0.101979D+01  0.953883D+01 -0.157223D+00 -0.665690D+01 -0.191205D+02
      4  -0.608729D+01  0.645040D+00 -0.574185D+01 -0.568296D+00  0.335645D+02
      5  -0.993891D+00  0.241446D+02 -0.827245D+00 -0.545969D+01  0.278179D+02
      6   0.238611D+01 -0.202697D-01  0.251051D+01  0.867748D+00  0.124471D+02
               191           192           193           194           195 
      1   0.212878D+02  0.141594D+02  0.256831D+02  0.162267D+02  0.665009D+01
      2  -0.617892D+01 -0.987657D+01 -0.723808D+01  0.122256D+01 -0.354312D+01
      3  -0.151089D+02 -0.428282D+01 -0.184450D+02 -0.174492D+02 -0.310697D+01
      4   0.309250D+02  0.136030D+02  0.396049D+02  0.465283D+02  0.233823D+02
      5   0.168714D+02  0.220595D+02  0.244819D+02  0.272195D+02  0.213217D+02
      6   0.110897D+02  0.769204D+01  0.150954D+02  0.196996D+02  0.143329D+02
               196           197           198           199           200 
      1   0.791972D+01  0.239428D+01  0.704406D+01  0.110214D+02 -0.677383D+01
      2  -0.660151D+01 -0.221932D+01 -0.591934D+01 -0.914787D+01  0.578678D+01
      3  -0.131821D+01 -0.174956D+00 -0.112471D+01 -0.187355D+01  0.987052D+00
      4   0.100775D+02  0.122891D+02  0.118638D+02 -0.753742D+01  0.129870D+02
      5   0.185542D+02  0.124514D+02  0.146559D+02  0.172030D+02 -0.825719D+01
      6   0.720227D+01  0.100681D+02  0.744905D+01 -0.169519D+01  0.430556D+01
               201           202           203           204           205 
      1   0.124710D+02 -0.119422D+02  0.691981D+01 -0.409431D+01  0.103175D+02
      2  -0.107151D+02  0.105811D+02 -0.878340D+01  0.138182D+02 -0.110109D+02
      3  -0.175581D+01  0.136117D+01  0.186359D+01 -0.972392D+01  0.693401D+00
      4  -0.598186D+01  0.141302D+02 -0.287730D+02  0.223377D+02 -0.599755D+01
      5   0.180375D+02 -0.158648D+02  0.251893D+02 -0.323433D+02  0.187691D+02
      6  -0.181211D+01  0.541725D+01 -0.127687D+02  0.962286D+01 -0.253590D+01
               206           207           208           209           210 
      1  -0.155025D+01  0.262623D+01 -0.451971D+02  0.972173D+01  0.137737D+02
      2   0.956016D+01 -0.174821D+02  0.220589D+02 -0.532160D+01 -0.200305D+01
      3  -0.800991D+01  0.148558D+02  0.231382D+02 -0.440013D+01 -0.117706D+02
      4   0.166037D+02 -0.176996D+02 -0.370837D+01 -0.287803D+01 -0.137464D+01
      5  -0.193905D+02  0.341505D+02 -0.100780D+02 -0.134381D+01 -0.790392D+01
      6   0.952969D+01 -0.789079D+01  0.581957D+01 -0.514929D+01 -0.638610D+01
               211           212           213           214           215 
      1   0.932055D+01 -0.725102D+01 -0.552270D+01  0.110798D+02 -0.326436D+01
      2  -0.454081D+01  0.436448D+01  0.350624D+01 -0.269700D+01  0.145163D+01
      3  -0.477974D+01  0.288653D+01  0.201645D+01 -0.838278D+01  0.181273D+01
      4   0.236274D+01  0.325748D+01  0.571724D+01  0.659422D+00  0.384641D+01
      5   0.820546D+00  0.495768D+01  0.665253D+00  0.165922D+01 -0.816874D+00
      6  -0.193465D+01  0.411489D+01  0.525298D+01 -0.330316D+01  0.435755D+01
               216           217           218           219           220 
      1  -0.101282D+02 -0.416470D+02  0.143768D+02  0.172737D+01  0.108429D+02
      2   0.959137D+00  0.279687D+02 -0.142234D+02 -0.202170D+01 -0.862042D+01
      3   0.916910D+01  0.136783D+02 -0.153401D+00  0.294323D+00 -0.222249D+01
      4  -0.981956D+00 -0.124838D+02 -0.414623D+01  0.347168D+01  0.327765D+01
      5   0.361881D+01  0.118899D+02  0.420629D+00 -0.610921D+01 -0.174325D+01
      6   0.246398D+01  0.521060D+00  0.337883D+01 -0.471342D+01  0.107454D+01
               221           222           223           224           225 
      1  -0.104996D+02  0.934701D-01  0.608401D+01 -0.276614D+01 -0.605072D+01
      2   0.126685D+02  0.558030D+00 -0.369587D+01  0.396407D+01  0.622396D+00
      3  -0.216893D+01 -0.651500D+00 -0.238815D+01 -0.119793D+01  0.542832D+01
      4   0.516456D+01  0.490432D+00  0.191611D+01  0.409731D+01 -0.135138D+01
      5   0.234005D+01 -0.217127D+00 -0.189934D+01  0.818032D-01 -0.284317D+01
      6  -0.139682D+01  0.101827D+01 -0.258615D+01  0.139690D+01 -0.519867D+00
               226           227           228           229           230 
      1   0.662657D+00  0.241236D+01 -0.842558D+01 -0.113341D+01  0.438571D+00
      2  -0.240781D+01  0.260887D+00  0.650061D+01  0.257627D+01 -0.162300D+01
      3   0.174516D+01 -0.267324D+01  0.192497D+01 -0.144286D+01  0.118443D+01
      4   0.308741D+01  0.637566D+01 -0.272180D+01  0.428505D+01  0.191641D-02
      5  -0.101400D+02 -0.122234D+01  0.131784D+02  0.108473D+01 -0.536787D+01
      6  -0.257806D+01 -0.124114D+01  0.163141D+01 -0.812458D+00 -0.215353D+00
               231           232           233           234           235 
      1   0.889223D-01 -0.842472D+01  0.206825D+01 -0.132688D+02  0.270620D+02
      2  -0.472056D+01  0.844674D+01 -0.373951D+01 -0.242628D+02 -0.407050D+00
      3   0.463164D+01 -0.220108D-01  0.167125D+01  0.375317D+02 -0.266550D+02
      4  -0.454314D+01 -0.525959D+01 -0.894125D+01  0.434473D+01  0.405483D+02
      5  -0.965715D+01  0.165403D+02  0.383594D+01 -0.682568D+02 -0.370536D+01
      6   0.347491D+01  0.437515D+01  0.770149D+01 -0.244116D+02 -0.313602D+01
               236           237           238           239           240 
      1   0.202330D+02  0.204393D+01  0.184003D+02  0.109931D+02 -0.166796D+00
      2   0.501533D+01  0.818424D-01  0.800867D+01  0.259345D+02  0.122205D+01
      3  -0.252483D+02 -0.212577D+01 -0.264089D+02 -0.369276D+02 -0.105526D+01
      4   0.439943D+02 -0.119431D+01  0.462771D+02  0.665653D+02 -0.620815D+00
      5  -0.531896D+01  0.931319D+01 -0.511259D+01 -0.411151D+01  0.667989D+01
      6  -0.476097D+01  0.531087D+01 -0.460429D+01 -0.766740D+01  0.592214D+01
               241           242           243           244           245 
      1   0.694810D+01  0.192352D+01  0.352781D+01  0.775632D+00  0.353270D+01
      2   0.378923D+00  0.532874D+01 -0.129541D+01 -0.416871D+01 -0.169023D+01
      3  -0.732703D+01 -0.725227D+01 -0.223240D+01  0.339308D+01 -0.184246D+01
      4   0.854374D+01  0.138507D+02  0.751152D+01  0.632959D+01  0.524068D+01
      5   0.740466D+01  0.596764D+01 -0.131735D+01 -0.117063D+02 -0.150876D+01
      6   0.427969D+01  0.457700D+01  0.354255D+00 -0.373723D+01 -0.364675D+00
               246           247           248           249           250 
      1  -0.652332D+01  0.403055D+01  0.204054D-01  0.211388D+01 -0.787587D+01
      2   0.513601D+01 -0.176875D+01  0.836898D-02 -0.373443D+00  0.866255D+01
      3   0.138732D+01 -0.226180D+01 -0.287744D-01 -0.174044D+01 -0.786677D+00
      4  -0.256379D+01  0.893086D+01  0.443686D+01 -0.728952D+01 -0.466279D+01
      5   0.122762D+02 -0.213478D+01 -0.730140D+01  0.866871D+01  0.169373D+02
      6   0.224237D+01 -0.169125D+01 -0.394277D+01  0.698898D+01  0.327519D+01
               251           252           253           254           255 
      1   0.227399D+01 -0.574135D+01 -0.869528D+02 -0.963796D+01  0.937910D+01
      2   0.724118D+00 -0.131067D+02  0.444950D+02  0.137832D+02 -0.598212D+01
      3  -0.299811D+01  0.188481D+02  0.424579D+02 -0.414525D+01 -0.339698D+01
      4  -0.105987D+02  0.946155D+01 -0.168684D+02  0.253196D+02  0.881485D+01
      5   0.804219D+01 -0.408437D+02  0.119892D+02  0.551331D+01  0.996075D+01
      6   0.615115D+01 -0.119854D+02  0.890614D+01  0.371367D+01  0.386803D+01
               256           257           258           259           260 
      1   0.165304D+02  0.355679D+02  0.780386D+00  0.290570D+02  0.216324D+01
      2  -0.158214D+01 -0.367574D+02 -0.587752D+00 -0.103068D+02  0.312616D+01
      3  -0.149482D+02  0.118953D+01 -0.192634D+00 -0.187502D+02 -0.528940D+01
      4   0.354059D+02 -0.187076D+02  0.103622D+02  0.225242D+02  0.190106D+02
      5   0.119833D+02  0.132639D+02  0.130113D+02  0.156523D+02  0.112721D+02
      6   0.718270D+01  0.401847D+01  0.678436D+01  0.812505D+01  0.692618D+01
               261           262           263           264           265 
      1   0.128543D+02  0.324111D+01 -0.648072D+01 -0.145023D+01 -0.236214D+01
      2   0.616546D+01  0.403151D+01 -0.336349D+01 -0.402199D+00 -0.940683D+01
      3  -0.190197D+02 -0.727262D+01  0.984421D+01  0.185242D+01  0.117690D+02
      4   0.144979D+02 -0.132192D+02  0.203444D+02  0.449263D+01  0.254713D+02
      5  -0.273292D+02 -0.484106D+01  0.579794D+01  0.360020D+01  0.690334D+01
      6  -0.842050D+01  0.361979D+01 -0.420274D+01 -0.163841D+01 -0.589206D+01
               266           267           268           269           270 
      1  -0.158541D+02 -0.453182D+01  0.298567D+00  0.446825D+00 -0.211798D+01
      2   0.447621D+02  0.680171D+01  0.266981D+01 -0.811672D+01  0.191964D+01
      3  -0.289081D+02 -0.226989D+01 -0.296838D+01  0.766989D+01  0.198340D+00
      4  -0.668382D+02 -0.139341D+02 -0.383616D+01  0.995860D+01 -0.356887D+01
      5  -0.162097D+02 -0.117507D+02  0.189698D+01 -0.344261D+01 -0.352481D+01
      6   0.199946D+02  0.978093D+01 -0.112059D+01  0.426673D+01  0.263325D+01
               271           272           273           274           275 
      1   0.131647D+03  0.120880D+02 -0.489346D+01 -0.574268D+01  0.719012D+01
      2  -0.618589D+02 -0.199465D+01  0.204169D+01  0.590485D+01 -0.326818D+00
      3  -0.697877D+02 -0.100934D+02  0.285177D+01 -0.162174D+00 -0.686330D+01
      4   0.472749D+02  0.188935D+02 -0.125927D+00  0.125344D+02  0.606334D+01
      5   0.332030D+01  0.128195D+01  0.126600D+02 -0.113695D+01 -0.184481D+01
      6  -0.979565D+00  0.124290D+01  0.377972D+01 -0.588850D-01 -0.281556D+00
               276           277           278           279           280 
      1   0.191320D+00 -0.186550D+02 -0.171685D+01  0.997770D+01  0.109934D+01
      2  -0.275185D+00  0.787350D+01 -0.708502D+00 -0.702288D+01  0.266881D+01
      3   0.838647D-01  0.107815D+02  0.242536D+01 -0.295482D+01 -0.376815D+01
      4  -0.210178D+01 -0.884631D+01 -0.572403D+01  0.247418D+01  0.391651D+01
      5  -0.153162D+01  0.141094D+02  0.398431D+00 -0.811652D+00 -0.228013D+01
      6  -0.370710D-01  0.373760D+01  0.757283D+00 -0.319444D+00 -0.940943D+00
               281           282           283           284           285 
      1   0.136546D+02 -0.124470D+01  0.102577D+02 -0.319766D+02 -0.445232D+00
      2  -0.144375D+02  0.871111D+00 -0.389978D+01  0.534899D+02 -0.544702D+00
      3   0.782890D+00  0.373587D+00 -0.635789D+01 -0.215133D+02  0.989934D+00
      4  -0.735075D+01 -0.210211D+01  0.954309D+01  0.524922D+02 -0.420406D-01
      5  -0.365220D+00 -0.250044D+01  0.119054D+01 -0.248260D+01  0.559025D+01
      6  -0.149058D+01 -0.215327D+01 -0.936932D-01  0.462780D+01  0.644038D+01
               286           287           288           289           290 
      1  -0.531224D+01  0.113357D+01 -0.568295D+01  0.667592D+01  0.930424D+00
      2   0.150745D+01 -0.469336D+01  0.460062D+01 -0.625584D+01 -0.178540D+01
      3   0.380479D+01  0.355980D+01  0.108233D+01 -0.420078D+00  0.854976D+00
      4  -0.457340D+01 -0.887304D+01  0.373009D+01 -0.139626D+00 -0.276551D+01
      5   0.277114D+00  0.485329D+01  0.657189D+00  0.380353D+01 -0.119323D+01
      6  -0.376452D+00  0.687191D+01 -0.215616D+00  0.237199D+00 -0.137423D+01
               291           292           293           294           295 
      1   0.571865D+01 -0.595007D+01 -0.600705D+01 -0.889530D+00  0.105869D+02
      2  -0.248671D+01  0.251270D+01  0.343457D+01  0.338994D+01 -0.676367D+01
      3  -0.323193D+01  0.343738D+01  0.257248D+01 -0.250041D+01 -0.382328D+01
      4   0.252238D+00 -0.331824D+01 -0.183165D+01  0.262830D+01  0.602963D+01
      5   0.112133D+01 -0.269950D+01  0.244171D+01 -0.565448D+01  0.105544D+02
      6  -0.949993D+00 -0.735503D+00  0.367228D+00  0.160172D+01  0.231645D+01
               296           297 
      1  -0.959701D+00 -0.113293D+02
      2   0.330938D+01 -0.136575D+02
      3  -0.234968D+01  0.249868D+02
      4   0.966775D+01  0.646704D+00
      5   0.156850D+01  0.445072D+02
      6   0.461604D+01  0.170072D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 13:50:36 2021, MaxMem=  6442450944 cpu:           35756.1 elap:            4476.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19701 -19.14128 -10.32757 -10.21392 -10.20280
 Alpha  occ. eigenvalues --  -10.19604 -10.19243 -10.19204 -10.18995 -10.18956
 Alpha  occ. eigenvalues --  -10.18917 -10.18647 -10.18503 -10.17348 -10.17321
 Alpha  occ. eigenvalues --   -1.10910  -1.01862  -0.86704  -0.82129  -0.79550
 Alpha  occ. eigenvalues --   -0.74603  -0.74171  -0.68460  -0.68042  -0.67253
 Alpha  occ. eigenvalues --   -0.61466  -0.60759  -0.57540  -0.55683  -0.51670
 Alpha  occ. eigenvalues --   -0.50746  -0.49059  -0.47737  -0.46765  -0.45960
 Alpha  occ. eigenvalues --   -0.45117  -0.43607  -0.43194  -0.42804  -0.42381
 Alpha  occ. eigenvalues --   -0.41811  -0.39647  -0.38573  -0.38284  -0.37516
 Alpha  occ. eigenvalues --   -0.37063  -0.36527  -0.35209  -0.34407  -0.33756
 Alpha  occ. eigenvalues --   -0.33624  -0.33375  -0.32195  -0.29234  -0.26191
 Alpha  occ. eigenvalues --   -0.24727
 Alpha virt. eigenvalues --   -0.02736  -0.01953   0.00197   0.00654   0.01784
 Alpha virt. eigenvalues --    0.02944   0.03655   0.04441   0.05005   0.05477
 Alpha virt. eigenvalues --    0.06356   0.07416   0.07462   0.08086   0.08906
 Alpha virt. eigenvalues --    0.09121   0.09703   0.10091   0.10683   0.11311
 Alpha virt. eigenvalues --    0.11539   0.12179   0.12805   0.13074   0.13125
 Alpha virt. eigenvalues --    0.13683   0.13900   0.14710   0.15072   0.15256
 Alpha virt. eigenvalues --    0.15881   0.16794   0.17295   0.17326   0.17791
 Alpha virt. eigenvalues --    0.18324   0.18881   0.19139   0.19549   0.20326
 Alpha virt. eigenvalues --    0.20493   0.20920   0.21691   0.22100   0.22408
 Alpha virt. eigenvalues --    0.23499   0.24179   0.24402   0.24940   0.25358
 Alpha virt. eigenvalues --    0.26161   0.26675   0.27059   0.27533   0.27754
 Alpha virt. eigenvalues --    0.28064   0.28524   0.29034   0.29262   0.29903
 Alpha virt. eigenvalues --    0.30297   0.30772   0.31053   0.31364   0.32077
 Alpha virt. eigenvalues --    0.32602   0.32785   0.32937   0.33380   0.33503
 Alpha virt. eigenvalues --    0.33881   0.34361   0.34920   0.35111   0.35487
 Alpha virt. eigenvalues --    0.35822   0.35999   0.36459   0.36782   0.37115
 Alpha virt. eigenvalues --    0.37334   0.37461   0.37613   0.37728   0.38239
 Alpha virt. eigenvalues --    0.38475   0.38822   0.38944   0.39706   0.39982
 Alpha virt. eigenvalues --    0.40135   0.40493   0.41011   0.41600   0.41897
 Alpha virt. eigenvalues --    0.42373   0.42977   0.43279   0.43595   0.43727
 Alpha virt. eigenvalues --    0.44264   0.44509   0.44929   0.45266   0.45852
 Alpha virt. eigenvalues --    0.46027   0.46549   0.46821   0.47501   0.47915
 Alpha virt. eigenvalues --    0.48379   0.48863   0.49261   0.49484   0.49752
 Alpha virt. eigenvalues --    0.49936   0.50370   0.50952   0.51483   0.51730
 Alpha virt. eigenvalues --    0.52501   0.52669   0.52764   0.53186   0.53825
 Alpha virt. eigenvalues --    0.54241   0.54464   0.55345   0.55573   0.55986
 Alpha virt. eigenvalues --    0.56286   0.56699   0.56841   0.57720   0.58350
 Alpha virt. eigenvalues --    0.58363   0.58645   0.59184   0.59832   0.60053
 Alpha virt. eigenvalues --    0.60360   0.60934   0.61450   0.61893   0.62310
 Alpha virt. eigenvalues --    0.62540   0.63081   0.63581   0.63761   0.64397
 Alpha virt. eigenvalues --    0.65134   0.65420   0.66666   0.67041   0.67294
 Alpha virt. eigenvalues --    0.68052   0.68662   0.68957   0.70583   0.70994
 Alpha virt. eigenvalues --    0.71627   0.72115   0.72387   0.73310   0.73366
 Alpha virt. eigenvalues --    0.74124   0.74907   0.75597   0.75988   0.76218
 Alpha virt. eigenvalues --    0.76942   0.78078   0.78658   0.79091   0.80317
 Alpha virt. eigenvalues --    0.80651   0.81384   0.82467   0.83426   0.84241
 Alpha virt. eigenvalues --    0.84650   0.85878   0.87131   0.88461   0.89508
 Alpha virt. eigenvalues --    0.89651   0.90315   0.91372   0.92235   0.92321
 Alpha virt. eigenvalues --    0.93972   0.94123   0.95902   0.96802   0.97388
 Alpha virt. eigenvalues --    0.98826   0.99179   0.99994   1.01032   1.01647
 Alpha virt. eigenvalues --    1.02272   1.02537   1.03276   1.03839   1.04215
 Alpha virt. eigenvalues --    1.05470   1.05672   1.05818   1.06646   1.07306
 Alpha virt. eigenvalues --    1.07841   1.08734   1.09135   1.10469   1.11886
 Alpha virt. eigenvalues --    1.12514   1.14893   1.16324   1.17448   1.17780
 Alpha virt. eigenvalues --    1.18972   1.20043   1.20971   1.21093   1.22350
 Alpha virt. eigenvalues --    1.23030   1.24082   1.24407   1.24857   1.25638
 Alpha virt. eigenvalues --    1.26602   1.27521   1.28001   1.30051   1.30258
 Alpha virt. eigenvalues --    1.31854   1.33662   1.35200   1.36274   1.36686
 Alpha virt. eigenvalues --    1.37426   1.39071   1.41066   1.41441   1.43249
 Alpha virt. eigenvalues --    1.44595   1.45035   1.46309   1.47226   1.49429
 Alpha virt. eigenvalues --    1.51605   1.52583   1.53921   1.55345   1.56198
 Alpha virt. eigenvalues --    1.58737   1.59745   1.60648   1.61310   1.62715
 Alpha virt. eigenvalues --    1.64929   1.65504   1.66938   1.67383   1.68661
 Alpha virt. eigenvalues --    1.70259   1.71072   1.72672   1.73648   1.74737
 Alpha virt. eigenvalues --    1.75753   1.76697   1.77792   1.78075   1.78903
 Alpha virt. eigenvalues --    1.80006   1.82000   1.82381   1.83058   1.84087
 Alpha virt. eigenvalues --    1.85814   1.86777   1.87332   1.88372   1.88436
 Alpha virt. eigenvalues --    1.89714   1.91084   1.91544   1.92973   1.93224
 Alpha virt. eigenvalues --    1.94469   1.95375   1.96025   1.96350   1.96754
 Alpha virt. eigenvalues --    1.98248   1.99115   2.01120   2.01469   2.02305
 Alpha virt. eigenvalues --    2.03317   2.04639   2.05590   2.06088   2.06309
 Alpha virt. eigenvalues --    2.08310   2.09638   2.10380   2.11191   2.12077
 Alpha virt. eigenvalues --    2.12567   2.13618   2.14655   2.15671   2.16569
 Alpha virt. eigenvalues --    2.17331   2.18451   2.19564   2.21254   2.22275
 Alpha virt. eigenvalues --    2.22853   2.23559   2.25136   2.26428   2.28115
 Alpha virt. eigenvalues --    2.28320   2.30935   2.31461   2.33887   2.36623
 Alpha virt. eigenvalues --    2.37381   2.38361   2.40893   2.41165   2.43251
 Alpha virt. eigenvalues --    2.44116   2.44405   2.46352   2.47835   2.48569
 Alpha virt. eigenvalues --    2.49809   2.51366   2.54317   2.54872   2.56280
 Alpha virt. eigenvalues --    2.56653   2.59574   2.62472   2.62503   2.64113
 Alpha virt. eigenvalues --    2.66451   2.67284   2.68230   2.68618   2.69196
 Alpha virt. eigenvalues --    2.70667   2.71335   2.72806   2.74329   2.78724
 Alpha virt. eigenvalues --    2.85481   2.86745   2.87195   2.89773   2.92183
 Alpha virt. eigenvalues --    2.93081   2.94287   2.96140   2.99548   3.00160
 Alpha virt. eigenvalues --    3.00758   3.04942   3.05131   3.06025   3.07620
 Alpha virt. eigenvalues --    3.09017   3.10350   3.13040   3.13258   3.16041
 Alpha virt. eigenvalues --    3.17163   3.18634   3.20295   3.21323   3.23461
 Alpha virt. eigenvalues --    3.24169   3.24823   3.27834   3.37082   3.38722
 Alpha virt. eigenvalues --    3.62950   3.66722   3.82356   3.95005
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.873723  -2.046604  -1.711845   0.819445   0.198706   0.287002
     2  C   -2.046604  15.156112   0.817701  -0.806308   0.897866  -2.206695
     3  C   -1.711845   0.817701  10.279981  -2.311438   0.050996   0.269628
     4  C    0.819445  -0.806308  -2.311438  14.797814  -2.241523   1.113087
     5  C    0.198706   0.897866   0.050996  -2.241523  11.097146  -1.828585
     6  C    0.287002  -2.206695   0.269628   1.113087  -1.828585  10.024966
     7  C   -1.573185   0.839366   0.029420   0.163622   0.044497  -1.652183
     8  C   -0.087829   0.263408   0.016789  -0.000394   0.014149  -0.088944
     9  C    0.002554  -0.079206   0.001377  -0.005248   0.005482  -0.056855
    10  C   -0.044616  -0.081920   0.003845  -0.006372   0.000327   0.008337
    11  C    0.002183   0.163766  -1.145196   0.591410  -1.452838   0.032529
    12  C    0.002008   0.007089  -0.216133   0.204252  -0.156105   0.001422
    13  O    0.011225   0.002025   0.013525  -0.073559   0.022754   0.001427
    14  O   -0.000955   0.000408   0.002724  -0.020990   0.005524   0.000461
    15  H    0.773896  -2.362120  -1.136690   0.086465   0.209770   0.105986
    16  H   -0.802818  -0.048333   0.856999  -2.075950   0.100708   0.195890
    17  H    0.225628  -0.058815   0.163357  -2.360992   0.876667  -1.119860
    18  H    0.094589  -2.367341   0.196807   0.022886  -1.225839   1.012598
    19  H    0.033819  -0.083937  -0.003228  -0.001811   0.006648   0.113620
    20  H    0.102276  -0.059521   0.007169  -0.003643  -0.007445   0.033268
    21  H    0.055253   0.049306  -0.002655  -0.000015  -0.002423   0.053839
    22  H    0.000345   0.013148  -0.000595   0.000310   0.000116   0.005385
    23  H    0.001683  -0.075924   0.000725  -0.001104  -0.006094   0.015537
    24  H   -0.002420   0.043227   0.002288   0.001561   0.009219   0.000500
    25  H    0.016176   0.031261   0.003340   0.002222   0.002725   0.002203
    26  H    0.023853  -0.078633  -0.007452  -0.000821   0.000500   0.002053
    27  H    0.001054   0.013934   0.001004   0.000302  -0.000540  -0.000611
    28  H    0.020101   0.001140   0.107031  -0.314583  -0.104026   0.018480
    29  C   -0.010682   0.006167  -0.049233   0.017357  -0.036975   0.004178
    30  H   -0.000604  -0.000431  -0.000360   0.003969   0.001486  -0.000414
    31  H   -0.001312  -0.000206   0.002482  -0.000116  -0.016653   0.000087
    32  H    0.000341   0.003371  -0.004474  -0.067285   0.048102  -0.004105
    33  H    0.006084   0.001430  -0.020384  -0.020405  -0.013361   0.000633
               7          8          9         10         11         12
     1  C   -1.573185  -0.087829   0.002554  -0.044616   0.002183   0.002008
     2  C    0.839366   0.263408  -0.079206  -0.081920   0.163766   0.007089
     3  C    0.029420   0.016789   0.001377   0.003845  -1.145196  -0.216133
     4  C    0.163622  -0.000394  -0.005248  -0.006372   0.591410   0.204252
     5  C    0.044497   0.014149   0.005482   0.000327  -1.452838  -0.156105
     6  C   -1.652183  -0.088944  -0.056855   0.008337   0.032529   0.001422
     7  C    8.191588   0.081410   0.086239   0.072769  -0.003164  -0.000461
     8  C    0.081410   5.648162   0.310975   0.319380  -0.000059   0.000209
     9  C    0.086239   0.310975   4.243086  -0.018207  -0.000306  -0.000096
    10  C    0.072769   0.319380  -0.018207   4.239409   0.000020  -0.000079
    11  C   -0.003164  -0.000059  -0.000306   0.000020   8.089649   0.315318
    12  C   -0.000461   0.000209  -0.000096  -0.000079   0.315318   5.177567
    13  O   -0.000021  -0.000082   0.000023   0.000015  -0.077973   0.117173
    14  O    0.000081  -0.000062   0.000011  -0.000031  -0.039808  -0.134007
    15  H   -0.688750  -0.070632   0.002739  -0.028715   0.004564   0.008097
    16  H    0.023352   0.004507  -0.000544  -0.000594  -0.441763  -0.051465
    17  H    0.025369   0.004300   0.000127  -0.000662  -0.599701  -0.081389
    18  H   -0.709703  -0.064102  -0.029941   0.003755   0.026999   0.003527
    19  H   -0.051619   0.070428  -0.001553   0.003340  -0.000031   0.000018
    20  H   -0.045498   0.072175   0.007506   0.000312  -0.000071  -0.000035
    21  H   -0.241231   0.234476  -0.065016  -0.061876  -0.000007   0.000005
    22  H    0.042264   0.195799   0.086078  -0.016977   0.000005   0.000005
    23  H   -0.099271   0.090128   0.280332   0.006767  -0.000026  -0.000007
    24  H   -0.099372   0.164955   0.076353  -0.014962  -0.000142   0.000047
    25  H   -0.112305   0.161126  -0.013622   0.077186  -0.000041   0.000076
    26  H   -0.107944   0.098384   0.006578   0.270768  -0.000005   0.000002
    27  H    0.051276   0.189668  -0.016504   0.089460   0.000014  -0.000006
    28  H    0.000029  -0.000022  -0.000053   0.000020   0.111706  -0.199878
    29  C   -0.000225  -0.000025   0.000006  -0.000004   0.329871   0.012961
    30  H   -0.000005   0.000010  -0.000003  -0.000002   0.011945   0.157034
    31  H   -0.000001   0.000000  -0.000000   0.000000   0.190730  -0.015409
    32  H    0.000005  -0.000002   0.000001   0.000000   0.151057   0.013413
    33  H    0.000006  -0.000001  -0.000000   0.000000   0.127550  -0.002184
              13         14         15         16         17         18
     1  C    0.011225  -0.000955   0.773896  -0.802818   0.225628   0.094589
     2  C    0.002025   0.000408  -2.362120  -0.048333  -0.058815  -2.367341
     3  C    0.013525   0.002724  -1.136690   0.856999   0.163357   0.196807
     4  C   -0.073559  -0.020990   0.086465  -2.075950  -2.360992   0.022886
     5  C    0.022754   0.005524   0.209770   0.100708   0.876667  -1.225839
     6  C    0.001427   0.000461   0.105986   0.195890  -1.119860   1.012598
     7  C   -0.000021   0.000081  -0.688750   0.023352   0.025369  -0.709703
     8  C   -0.000082  -0.000062  -0.070632   0.004507   0.004300  -0.064102
     9  C    0.000023   0.000011   0.002739  -0.000544   0.000127  -0.029941
    10  C    0.000015  -0.000031  -0.028715  -0.000594  -0.000662   0.003755
    11  C   -0.077973  -0.039808   0.004564  -0.441763  -0.599701   0.026999
    12  C    0.117173  -0.134007   0.008097  -0.051465  -0.081389   0.003527
    13  O    8.426036   0.045694   0.000220   0.017294   0.008532  -0.000198
    14  O    0.045694   8.412267  -0.000526  -0.000139  -0.004624  -0.000004
    15  H    0.000220  -0.000526   4.567524  -1.100458  -0.033468   0.106958
    16  H    0.017294  -0.000139  -1.100458   3.728356   0.083857  -0.029756
    17  H    0.008532  -0.004624  -0.033468   0.083857   4.418244  -1.314517
    18  H   -0.000198  -0.000004   0.106958  -0.029756  -1.314517   4.642048
    19  H   -0.000000   0.000004   0.010612  -0.000329  -0.000452   0.023467
    20  H    0.000003   0.000015   0.021722  -0.000379  -0.001903   0.026841
    21  H    0.000000  -0.000002   0.014804  -0.000118  -0.000121   0.014518
    22  H   -0.000000  -0.000002   0.000302  -0.000006   0.000008  -0.002052
    23  H    0.000001  -0.000000   0.000939  -0.000008  -0.000927   0.003224
    24  H   -0.000007   0.000054   0.000410  -0.000044   0.003024   0.005770
    25  H    0.000005   0.000034   0.011485   0.001952  -0.000027   0.001671
    26  H    0.000006  -0.000004   0.004953  -0.001156  -0.000007   0.000896
    27  H    0.000001  -0.000002  -0.003734   0.000074  -0.000003   0.000173
    28  H    0.009780  -0.068673  -0.000593   0.021960   0.016816  -0.000830
    29  C    0.011374   0.031330   0.002706   0.003092  -0.050993   0.002404
    30  H   -0.063829   0.106207  -0.000014   0.000890   0.000582  -0.000020
    31  H   -0.003510   0.004606  -0.000084   0.005344  -0.006139   0.000047
    32  H    0.007227  -0.001236   0.000559  -0.012780   0.021808  -0.000695
    33  H    0.011423  -0.000332   0.001160  -0.016983  -0.003117   0.000200
              19         20         21         22         23         24
     1  C    0.033819   0.102276   0.055253   0.000345   0.001683  -0.002420
     2  C   -0.083937  -0.059521   0.049306   0.013148  -0.075924   0.043227
     3  C   -0.003228   0.007169  -0.002655  -0.000595   0.000725   0.002288
     4  C   -0.001811  -0.003643  -0.000015   0.000310  -0.001104   0.001561
     5  C    0.006648  -0.007445  -0.002423   0.000116  -0.006094   0.009219
     6  C    0.113620   0.033268   0.053839   0.005385   0.015537   0.000500
     7  C   -0.051619  -0.045498  -0.241231   0.042264  -0.099271  -0.099372
     8  C    0.070428   0.072175   0.234476   0.195799   0.090128   0.164955
     9  C   -0.001553   0.007506  -0.065016   0.086078   0.280332   0.076353
    10  C    0.003340   0.000312  -0.061876  -0.016977   0.006767  -0.014962
    11  C   -0.000031  -0.000071  -0.000007   0.000005  -0.000026  -0.000142
    12  C    0.000018  -0.000035   0.000005   0.000005  -0.000007   0.000047
    13  O   -0.000000   0.000003   0.000000  -0.000000   0.000001  -0.000007
    14  O    0.000004   0.000015  -0.000002  -0.000002  -0.000000   0.000054
    15  H    0.010612   0.021722   0.014804   0.000302   0.000939   0.000410
    16  H   -0.000329  -0.000379  -0.000118  -0.000006  -0.000008  -0.000044
    17  H   -0.000452  -0.001903  -0.000121   0.000008  -0.000927   0.003024
    18  H    0.023467   0.026841   0.014518  -0.002052   0.003224   0.005770
    19  H    1.141438  -0.313506  -0.015694  -0.000011  -0.011314   0.009528
    20  H   -0.313506   1.115055  -0.017087  -0.005197   0.049945  -0.021209
    21  H   -0.015694  -0.017087   1.444475   0.026208  -0.023171   0.011698
    22  H   -0.000011  -0.005197   0.026208   1.239408  -0.219148  -0.129649
    23  H   -0.011314   0.049945  -0.023171  -0.219148   1.046217   0.015757
    24  H    0.009528  -0.021209   0.011698  -0.129649   0.015757   0.885003
    25  H   -0.018784   0.009130   0.011769  -0.027875  -0.003573   0.041358
    26  H    0.049671  -0.011009  -0.021825   0.008793  -0.005499  -0.002818
    27  H   -0.005580   0.000241   0.025882   0.009007   0.009172  -0.028621
    28  H    0.000011  -0.000002   0.000000   0.000000  -0.000001  -0.000007
    29  C   -0.000008   0.000026   0.000000  -0.000000   0.000000  -0.000001
    30  H   -0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000001
    31  H    0.000000  -0.000000   0.000000  -0.000000  -0.000000  -0.000000
    32  H   -0.000001  -0.000002  -0.000000  -0.000000   0.000000   0.000001
    33  H    0.000001   0.000002  -0.000000   0.000000  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.016176   0.023853   0.001054   0.020101  -0.010682  -0.000604
     2  C    0.031261  -0.078633   0.013934   0.001140   0.006167  -0.000431
     3  C    0.003340  -0.007452   0.001004   0.107031  -0.049233  -0.000360
     4  C    0.002222  -0.000821   0.000302  -0.314583   0.017357   0.003969
     5  C    0.002725   0.000500  -0.000540  -0.104026  -0.036975   0.001486
     6  C    0.002203   0.002053  -0.000611   0.018480   0.004178  -0.000414
     7  C   -0.112305  -0.107944   0.051276   0.000029  -0.000225  -0.000005
     8  C    0.161126   0.098384   0.189668  -0.000022  -0.000025   0.000010
     9  C   -0.013622   0.006578  -0.016504  -0.000053   0.000006  -0.000003
    10  C    0.077186   0.270768   0.089460   0.000020  -0.000004  -0.000002
    11  C   -0.000041  -0.000005   0.000014   0.111706   0.329871   0.011945
    12  C    0.000076   0.000002  -0.000006  -0.199878   0.012961   0.157034
    13  O    0.000005   0.000006   0.000001   0.009780   0.011374  -0.063829
    14  O    0.000034  -0.000004  -0.000002  -0.068673   0.031330   0.106207
    15  H    0.011485   0.004953  -0.003734  -0.000593   0.002706  -0.000014
    16  H    0.001952  -0.001156   0.000074   0.021960   0.003092   0.000890
    17  H   -0.000027  -0.000007  -0.000003   0.016816  -0.050993   0.000582
    18  H    0.001671   0.000896   0.000173  -0.000830   0.002404  -0.000020
    19  H   -0.018784   0.049671  -0.005580   0.000011  -0.000008  -0.000000
    20  H    0.009130  -0.011009   0.000241  -0.000002   0.000026  -0.000000
    21  H    0.011769  -0.021825   0.025882   0.000000   0.000000   0.000000
    22  H   -0.027875   0.008793   0.009007   0.000000  -0.000000  -0.000000
    23  H   -0.003573  -0.005499   0.009172  -0.000001   0.000000  -0.000000
    24  H    0.041358  -0.002818  -0.028621  -0.000007  -0.000001  -0.000001
    25  H    0.878022   0.022039  -0.132823   0.000002  -0.000002  -0.000006
    26  H    0.022039   1.035994  -0.220957   0.000001   0.000000  -0.000000
    27  H   -0.132823  -0.220957   1.257749  -0.000000  -0.000000   0.000000
    28  H    0.000002   0.000001  -0.000000   1.625248  -0.270038  -0.008019
    29  C   -0.000002   0.000000  -0.000000  -0.270038   4.222109   0.001633
    30  H   -0.000006  -0.000000   0.000000  -0.008019   0.001633   0.640014
    31  H   -0.000000  -0.000000   0.000000   0.013594   0.138945   0.000048
    32  H   -0.000000  -0.000000  -0.000000   0.034395   0.103409  -0.000262
    33  H   -0.000000  -0.000000  -0.000000  -0.007207   0.246510  -0.000141
              31         32         33
     1  C   -0.001312   0.000341   0.006084
     2  C   -0.000206   0.003371   0.001430
     3  C    0.002482  -0.004474  -0.020384
     4  C   -0.000116  -0.067285  -0.020405
     5  C   -0.016653   0.048102  -0.013361
     6  C    0.000087  -0.004105   0.000633
     7  C   -0.000001   0.000005   0.000006
     8  C    0.000000  -0.000002  -0.000001
     9  C   -0.000000   0.000001  -0.000000
    10  C    0.000000   0.000000   0.000000
    11  C    0.190730   0.151057   0.127550
    12  C   -0.015409   0.013413  -0.002184
    13  O   -0.003510   0.007227   0.011423
    14  O    0.004606  -0.001236  -0.000332
    15  H   -0.000084   0.000559   0.001160
    16  H    0.005344  -0.012780  -0.016983
    17  H   -0.006139   0.021808  -0.003117
    18  H    0.000047  -0.000695   0.000200
    19  H    0.000000  -0.000001   0.000001
    20  H   -0.000000  -0.000002   0.000002
    21  H    0.000000  -0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000000
    23  H   -0.000000   0.000000  -0.000000
    24  H   -0.000000   0.000001  -0.000000
    25  H   -0.000000  -0.000000  -0.000000
    26  H   -0.000000  -0.000000  -0.000000
    27  H    0.000000  -0.000000  -0.000000
    28  H    0.013594   0.034395  -0.007207
    29  C    0.138945   0.103409   0.246510
    30  H    0.000048  -0.000262  -0.000141
    31  H    0.763996  -0.078586   0.002126
    32  H   -0.078586   0.894937  -0.006623
    33  H    0.002126  -0.006623   0.733490
 Mulliken charges:
               1
     1  C   -0.269073
     2  C   -1.954730
     3  C   -0.217506
     4  C   -1.512145
     5  C   -0.500983
     6  C   -0.344863
     7  C    1.733645
     8  C   -1.628285
     9  C    1.177686
    10  C    1.179310
    11  C   -0.388184
    12  C    0.837033
    13  O   -0.486584
    14  O   -0.338024
    15  H    0.489915
    16  H    0.539346
    17  H    0.789398
    18  H    0.555619
    19  H    0.045252
    20  H    0.040821
    21  H   -0.490992
    22  H   -0.225670
    23  H   -0.074362
    24  H    0.028502
    25  H    0.035278
    26  H   -0.066358
    27  H   -0.239631
    28  H   -0.006381
    29  C    1.284111
    30  H    0.150295
    31  H    0.000010
    32  H   -0.102575
    33  H   -0.039876
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.220842
     2  C   -1.954730
     3  C    0.321840
     4  C   -1.512145
     5  C    0.288415
     6  C    0.210756
     7  C    1.819718
     8  C   -2.119277
     9  C    0.906157
    10  C    0.908598
    11  C   -0.394564
    12  C    0.837033
    13  O   -0.486584
    14  O   -0.187729
    29  C    1.141670
 Electronic spatial extent (au):  <R**2>=           4249.1216
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.2498    Y=             -0.5298    Z=              1.2090  Tot=              1.8178
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -91.4152   YY=            -90.6601   ZZ=            -92.9627
   XY=              1.3931   XZ=             -6.3115   YZ=              0.9771
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2641   YY=              1.0192   ZZ=             -1.2833
   XY=              1.3931   XZ=             -6.3115   YZ=              0.9771
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.1101  YYY=             34.0380  ZZZ=             -2.2267  XYY=            -19.8487
  XXY=             -6.8339  XXZ=             23.8633  XZZ=              0.7715  YZZ=             -3.2760
  YYZ=             14.5340  XYZ=            -11.9179
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4379.8450 YYYY=           -735.1860 ZZZZ=           -618.7132 XXXY=             -2.8509
 XXXZ=           -105.2975 YYYX=            -94.1816 YYYZ=             32.2016 ZZZX=            -12.6253
 ZZZY=             -8.7449 XXYY=           -816.9938 XXZZ=           -864.4363 YYZZ=           -238.0061
 XXYZ=             46.0063 YYXZ=            -30.0517 ZZXY=             -5.5006
 N-N= 9.842945191780D+02 E-N=-3.491350981475D+03  KE= 6.490948638008D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 13:50:38 2021, MaxMem=  6442450944 cpu:               5.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.71324582D-01-1.77070808D-01 4.73123682D-01
 Polarizability= 1.99037106D+02-5.54040444D-01 1.30507314D+02
                 1.66351006D+00-7.44604290D+00 1.45233610D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8085   -0.8072       -0.7260   -0.7246
 2      0.8085    0.8072        3.8776    3.8799      -37.9501  -37.9489
 3      0.7260    0.7246       30.3491   30.3483       -3.8787   -3.8799
 4     -3.8776   -3.8799       -0.0000    0.0000        0.7242    0.7246
 5      7.6009    7.6006       -0.7242   -0.7246       -0.8066   -0.8072
 6      3.8787    3.8799        0.8066    0.8072        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.4215    2.4215       -2.1738   -2.1738
 2    -11.6396  -11.6396        0.0000    0.0000       -2.1738   -2.1738
 3    -11.6396  -11.6396        2.4215    2.4215        0.0000    0.0000
 4      2.4215    2.4215       11.6396   11.6396     -113.8466 -113.8466
 5      2.1738    2.1738       91.0448   91.0448      -11.6396  -11.6396
 6     22.8019   22.8019       -2.1738   -2.1738       -2.4215   -2.4215
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0605    0.0000        3.1418    3.2287        2.7557    2.8984
 2     -3.1580   -3.2287      -15.6065  -15.5195      151.8033  151.7955
 3     -2.7912   -2.8984     -121.3695 -121.3930       15.5632   15.5195
 4     15.5651   15.5195       -0.0523    0.0000       -3.0010   -2.8984
 5    -30.4164  -30.4025        2.8034    2.8984        3.2139    3.2287
 6    -15.5211  -15.5195       -3.2566   -3.2287       -0.0023    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2168    0.0000      -97.9034  -97.7303        5.0479    5.0550
 2     97.4680   97.7303       17.9033   17.7191       -4.7875   -4.8693
 3     -4.8102   -5.0550       52.5333   52.4659      -17.2122  -17.7191
 4    -17.7790  -17.7191        0.0978    0.0000       -5.1001   -5.0550
 5    -48.0700  -47.5966        5.0052    5.0550      -97.7901  -97.7303
 6     17.5937   17.7191       97.7770   97.7303        0.0317    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -23.4938  -23.5488        0.5899    0.6882      -50.0769  -50.1000
 2    -44.7945  -44.9130      -74.7717  -74.6730      -50.1722  -50.1000
 3    -44.7764  -44.9130        0.6354    0.6882      -62.2858  -62.1774
 4     75.2178   75.3612       21.3547   21.3642       23.0565   22.8051
 5    -12.0329  -12.0775       65.0662   64.9039      -21.1396  -21.3642
 6    -88.2499  -87.7090       12.1078   12.0775      -75.2595  -75.3612
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0004    0.0003    0.0004    1.5729    3.1172    7.0147
 Low frequencies ---   24.6721   37.4950   48.0329
 Diagonal vibrational polarizability:
       44.6508982      20.9538794       8.6318248
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.6624                37.4898                48.0326
 Red. masses --      3.8552                 6.7236                 4.0746
 Frc consts  --      0.0014                 0.0056                 0.0055
 IR Inten    --      0.2284                 1.1648                 0.6317
 RamAct Fr= 1--      0.5603                 1.1774                 0.7241
  Dep-P Fr= 1--      0.7498                 0.6988                 0.7395
  Dep-U Fr= 1--      0.8570                 0.8227                 0.8502
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0001
 Beta2  Fr= 1--      0.0800                 0.1614                 0.1026
 AlphaG Fr= 1--     -0.0000                 0.0061                -0.0008
 Gamma2 Fr= 1--     -0.1431                 0.2201                -0.6808
 Delta2 Fr= 1--     -0.3646                 0.5029                -0.5877
 Raman1 Fr= 1--       2.241                  4.710                  2.896
 ROA1   Fr= 1--     -25.409                 37.222                -84.160
 CID1   Fr= 1--     -11.338                  7.903                -29.057
 Raman2 Fr= 1--       0.960                  1.937                  1.231
 ROA2   Fr= 1--      -0.518                  1.259                -11.637
 CID2   Fr= 1--      -0.540                  0.650                 -9.451
 Raman3 Fr= 1--       1.921                  3.875                  2.463
 ROA3   Fr= 1--     -25.409                 37.222                -84.160
 CID3   Fr= 1--     -13.230                  9.607                -34.175
 RC180  Fr= 1--       0.714                  0.645                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.01    -0.01  -0.08  -0.03    -0.02  -0.14  -0.07
     2   6     0.00  -0.03   0.05    -0.00  -0.04  -0.01     0.00  -0.04  -0.04
     3   6     0.02  -0.10  -0.03    -0.01  -0.10  -0.04    -0.02  -0.15  -0.06
     4   6    -0.01  -0.05  -0.03    -0.01  -0.07  -0.03     0.01  -0.04  -0.01
     5   6    -0.03   0.00   0.01    -0.01  -0.06  -0.02     0.03   0.05   0.01
     6   6    -0.02   0.01   0.05    -0.01  -0.04  -0.02     0.03   0.05   0.00
     7   6     0.01  -0.02   0.09     0.00   0.04   0.02     0.00   0.03  -0.05
     8   6    -0.03   0.03  -0.00    -0.08   0.08   0.05    -0.06   0.06  -0.01
     9   6    -0.11   0.19  -0.04    -0.12   0.05   0.06     0.06  -0.08   0.02
    10   6    -0.01  -0.06  -0.15    -0.15   0.07   0.07    -0.24   0.10   0.13
    11   6    -0.01  -0.03  -0.06    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.05   0.01   0.06     0.08   0.01  -0.01     0.08   0.03  -0.01
    13   8     0.12   0.13   0.08    -0.18  -0.02   0.09     0.25   0.06  -0.07
    14   8     0.01  -0.11   0.14     0.49   0.08  -0.11    -0.07   0.01   0.02
    15   1     0.04  -0.13   0.00    -0.00  -0.09  -0.03    -0.04  -0.21  -0.09
    16   1     0.03  -0.13  -0.06    -0.01  -0.12  -0.05    -0.04  -0.22  -0.07
    17   1    -0.05   0.04   0.01    -0.01  -0.04  -0.02     0.05   0.12   0.05
    18   1    -0.04   0.06   0.08    -0.00  -0.02  -0.01     0.04   0.12   0.02
    19   1     0.04  -0.11   0.12     0.04   0.06   0.02     0.00   0.07  -0.05
    20   1     0.01   0.04   0.18     0.04   0.05   0.02     0.05   0.03  -0.08
    21   1    -0.01   0.03   0.07    -0.06   0.15   0.06    -0.06   0.16  -0.13
    22   1    -0.14   0.23  -0.10    -0.17   0.08   0.08     0.02  -0.05   0.03
    23   1    -0.12   0.26   0.06    -0.08   0.05   0.05     0.18  -0.10  -0.08
    24   1    -0.13   0.20  -0.12    -0.14  -0.02   0.05     0.07  -0.17   0.15
    25   1    -0.02  -0.05  -0.23    -0.17   0.00   0.07    -0.24  -0.00   0.25
    26   1     0.05  -0.17  -0.12    -0.12   0.10   0.07    -0.33   0.20   0.10
    27   1    -0.03  -0.03  -0.21    -0.20   0.11   0.10    -0.28   0.13   0.14
    28   1    -0.05  -0.12  -0.09     0.00   0.00  -0.02     0.03   0.05   0.03
    29   6    -0.03   0.08  -0.17    -0.06   0.03  -0.01    -0.05   0.03   0.06
    30   1     0.06  -0.08   0.22     0.52   0.09  -0.10    -0.00   0.02  -0.00
    31   1    -0.03   0.10  -0.18    -0.06   0.10  -0.00    -0.04   0.07   0.10
    32   1    -0.06   0.06  -0.26    -0.13   0.01   0.00    -0.09   0.02   0.07
    33   1    -0.00   0.18  -0.14    -0.06   0.00  -0.01    -0.07   0.00   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --     57.6977                90.9939               114.0473
 Red. masses --      3.8981                 2.9378                 4.5564
 Frc consts  --      0.0076                 0.0143                 0.0349
 IR Inten    --      0.4863                 0.0494                 0.1132
 RamAct Fr= 1--      3.4667                 2.1243                 3.0069
  Dep-P Fr= 1--      0.7344                 0.7462                 0.6962
  Dep-U Fr= 1--      0.8469                 0.8547                 0.8209
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.0028
 Beta2  Fr= 1--      0.4893                 0.3026                 0.4114
 AlphaG Fr= 1--     -0.0021                 0.0009                -0.0028
 Gamma2 Fr= 1--      0.7923                 0.3363                 0.0035
 Delta2 Fr= 1--      0.6349                 0.1491                 0.0951
 Raman1 Fr= 1--      13.867                  8.497                 12.028
 ROA1   Fr= 1--      96.383                 37.055                  3.380
 CID1   Fr= 1--       6.951                  4.361                  0.281
 Raman2 Fr= 1--       5.872                  3.631                  4.937
 ROA2   Fr= 1--      13.937                  6.879                 -0.677
 CID2   Fr= 1--       2.374                  1.894                 -0.137
 Raman3 Fr= 1--      11.743                  7.262                  9.873
 ROA3   Fr= 1--      96.383                 37.055                  3.380
 CID3   Fr= 1--       8.207                  5.103                  0.342
 RC180  Fr= 1--       0.694                  0.709                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.03  -0.08  -0.11    -0.10   0.10   0.05
     2   6    -0.01   0.05   0.04     0.00   0.02  -0.08    -0.07   0.13   0.04
     3   6    -0.01  -0.09  -0.05    -0.03  -0.10  -0.09    -0.11  -0.03   0.02
     4   6    -0.02   0.02  -0.02     0.01   0.00  -0.04    -0.10  -0.12   0.00
     5   6    -0.01   0.18   0.05     0.04   0.11  -0.01    -0.08  -0.07   0.00
     6   6    -0.01   0.20   0.08     0.04   0.11  -0.04    -0.06   0.06   0.02
     7   6    -0.01  -0.01   0.02     0.01   0.03  -0.07    -0.07   0.10  -0.00
     8   6     0.06  -0.04  -0.02     0.01  -0.02   0.08     0.06   0.02  -0.01
     9   6     0.23  -0.08  -0.00    -0.18  -0.04   0.07     0.14   0.02  -0.01
    10   6     0.00  -0.01   0.05     0.19   0.01   0.04     0.20   0.06  -0.01
    11   6    -0.03  -0.03  -0.07     0.02   0.00   0.02    -0.10  -0.09   0.01
    12   6    -0.07  -0.03   0.01    -0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.17   0.00   0.07    -0.01  -0.01   0.03     0.18  -0.01  -0.06
    14   8     0.03  -0.06   0.03    -0.02  -0.01   0.04     0.12  -0.06  -0.03
    15   1    -0.00  -0.17  -0.05    -0.05  -0.15  -0.14    -0.11   0.16   0.06
    16   1    -0.01  -0.20  -0.11    -0.06  -0.18  -0.10    -0.13  -0.05   0.03
    17   1    -0.02   0.28   0.08     0.07   0.19   0.02    -0.07  -0.12  -0.01
    18   1    -0.01   0.30   0.13     0.06   0.19  -0.02    -0.05   0.08   0.02
    19   1    -0.04  -0.04   0.02     0.03   0.12  -0.09    -0.13   0.11  -0.01
    20   1    -0.04  -0.02   0.03    -0.02  -0.03  -0.14    -0.11   0.06  -0.04
    21   1     0.03  -0.06  -0.14     0.03  -0.07   0.22     0.03  -0.11  -0.03
    22   1     0.28  -0.10  -0.05    -0.12  -0.11   0.17     0.24  -0.05  -0.02
    23   1     0.28  -0.10  -0.06    -0.36  -0.07   0.10     0.06  -0.01  -0.02
    24   1     0.27  -0.06   0.12    -0.19   0.07  -0.08     0.17   0.13   0.02
    25   1     0.03   0.00   0.16     0.15   0.01  -0.15     0.22   0.17  -0.02
    26   1    -0.12   0.01   0.03     0.38   0.03   0.05     0.18   0.05  -0.01
    27   1     0.04  -0.03   0.00     0.15  -0.01   0.18     0.28  -0.01  -0.01
    28   1    -0.06  -0.10  -0.09     0.07   0.02   0.04    -0.11  -0.06   0.01
    29   6     0.02   0.01  -0.15    -0.03  -0.02   0.08    -0.18  -0.04   0.03
    30   1    -0.00  -0.06   0.08    -0.03  -0.01   0.04     0.27  -0.02  -0.06
    31   1     0.01  -0.04  -0.17    -0.02  -0.02   0.15    -0.18   0.06   0.03
    32   1     0.04   0.00  -0.21    -0.01  -0.01   0.08    -0.28  -0.07   0.05
    33   1     0.03   0.08  -0.13    -0.10  -0.03   0.07    -0.17  -0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    156.4530               200.6287               223.8801
 Red. masses --      3.7913                 2.9721                 1.0878
 Frc consts  --      0.0547                 0.0705                 0.0321
 IR Inten    --      0.0817                 0.5088                 0.2947
 RamAct Fr= 1--      0.8137                 0.2481                 0.0481
  Dep-P Fr= 1--      0.1429                 0.2000                 0.6248
  Dep-U Fr= 1--      0.2501                 0.3333                 0.7691
 Alpha2 Fr= 1--      0.0128                 0.0034                 0.0001
 Beta2  Fr= 1--      0.0339                 0.0138                 0.0062
 AlphaG Fr= 1--      0.0024                -0.0032                -0.0006
 Gamma2 Fr= 1--     -0.0055                 0.4449                 0.1203
 Delta2 Fr= 1--     -0.1182                 0.2287                 0.0489
 Raman1 Fr= 1--       3.255                  0.992                  0.192
 ROA1   Fr= 1--      -4.306                 50.032                 13.116
 CID1   Fr= 1--      -1.323                 50.422                 68.168
 Raman2 Fr= 1--       0.407                  0.165                  0.074
 ROA2   Fr= 1--       0.815                  8.849                  2.497
 CID2   Fr= 1--       2.003                 53.515                 33.749
 Raman3 Fr= 1--       0.814                  0.331                  0.148
 ROA3   Fr= 1--      -4.306                 50.032                 13.116
 CID3   Fr= 1--      -5.291                151.295                 88.635
 RC180  Fr= 1--      -0.500                 -0.333                  0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.05    -0.03  -0.11   0.04     0.01   0.02  -0.01
     2   6    -0.05   0.03   0.00     0.01  -0.05   0.02     0.00   0.01  -0.01
     3   6    -0.05   0.08   0.11    -0.02  -0.13   0.08     0.01   0.02  -0.01
     4   6     0.00   0.05   0.12     0.00  -0.07   0.10     0.00   0.01  -0.02
     5   6     0.03   0.11   0.12     0.03  -0.10   0.07     0.00   0.02  -0.01
     6   6     0.02   0.09   0.06     0.04  -0.09   0.03     0.00   0.02  -0.01
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.00  -0.01   0.01
     8   6    -0.08  -0.04  -0.04     0.02   0.05  -0.04    -0.00  -0.01   0.01
     9   6    -0.15  -0.10  -0.04     0.02  -0.00  -0.03    -0.01  -0.01   0.00
    10   6    -0.05  -0.01  -0.01     0.09   0.11   0.00    -0.02  -0.02  -0.00
    11   6    -0.01  -0.05   0.02    -0.01   0.02   0.03     0.00   0.00  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03    -0.06  -0.03  -0.00    -0.00   0.02   0.01
    14   8     0.10  -0.03  -0.02    -0.07   0.09  -0.03     0.00  -0.03   0.02
    15   1    -0.11   0.05   0.03    -0.07  -0.12   0.02     0.01   0.03  -0.00
    16   1    -0.09   0.07   0.14    -0.04  -0.15   0.08     0.01   0.02  -0.01
    17   1     0.06   0.13   0.14     0.07  -0.11   0.08     0.00   0.02  -0.01
    18   1     0.05   0.10   0.03     0.06  -0.08   0.01     0.00   0.03  -0.00
    19   1    -0.15   0.06  -0.13    -0.06   0.14  -0.11     0.01  -0.02   0.01
    20   1    -0.06  -0.06  -0.18     0.10   0.04  -0.17    -0.01  -0.01   0.02
    21   1    -0.07  -0.03  -0.01     0.02   0.03  -0.03     0.00  -0.00   0.01
    22   1    -0.10  -0.16   0.04     0.10  -0.08   0.03    -0.04   0.02  -0.00
    23   1    -0.25  -0.15  -0.05    -0.09  -0.06  -0.06     0.02   0.01   0.01
    24   1    -0.15  -0.04  -0.09     0.04   0.09  -0.05    -0.02  -0.03   0.00
    25   1    -0.06  -0.04  -0.06     0.06   0.07  -0.10    -0.01  -0.02   0.02
    26   1     0.02   0.03  -0.02     0.23   0.19  -0.00    -0.04  -0.03  -0.00
    27   1    -0.08  -0.01   0.06     0.05   0.10   0.15    -0.01  -0.02  -0.03
    28   1    -0.12  -0.09  -0.01    -0.12  -0.01   0.00     0.01   0.01  -0.01
    29   6     0.18  -0.05  -0.14     0.01   0.14  -0.12    -0.00  -0.02   0.02
    30   1     0.19  -0.01  -0.05    -0.15   0.06  -0.07     0.00  -0.02   0.04
    31   1     0.15  -0.15  -0.30    -0.02   0.35  -0.38    -0.05   0.38  -0.35
    32   1     0.24  -0.03  -0.15    -0.22   0.08  -0.02    -0.38  -0.08   0.46
    33   1     0.32   0.02  -0.10     0.31   0.08  -0.09     0.42  -0.41  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    247.8006               257.0280               269.1202
 Red. masses --      1.0980                 2.7068                 1.1202
 Frc consts  --      0.0397                 0.1054                 0.0478
 IR Inten    --      0.0684                 0.8410                 0.8045
 RamAct Fr= 1--      0.2305                 1.2150                 0.4968
  Dep-P Fr= 1--      0.7389                 0.7200                 0.0693
  Dep-U Fr= 1--      0.8498                 0.8372                 0.1296
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0094
 Beta2  Fr= 1--      0.0327                 0.1695                 0.0107
 AlphaG Fr= 1--     -0.0022                -0.0021                 0.0054
 Gamma2 Fr= 1--     -0.2245                 0.0817                 0.0755
 Delta2 Fr= 1--     -0.0389                 0.2380                -0.0183
 Raman1 Fr= 1--       0.922                  4.860                  1.987
 ROA1   Fr= 1--     -22.802                 15.459                  6.660
 CID1   Fr= 1--     -24.726                  3.181                  3.352
 Raman2 Fr= 1--       0.392                  2.034                  0.129
 ROA2   Fr= 1--      -5.078                  0.056                  1.958
 CID2   Fr= 1--     -12.958                  0.028                 15.204
 Raman3 Fr= 1--       0.784                  4.069                  0.258
 ROA3   Fr= 1--     -22.802                 15.459                  6.660
 CID3   Fr= 1--     -29.095                  3.799                 25.859
 RC180  Fr= 1--       0.700                  0.674                 -0.741
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.02    -0.06  -0.09  -0.05    -0.01  -0.01   0.00
     2   6     0.01  -0.00   0.02    -0.06  -0.05  -0.02    -0.01  -0.00   0.01
     3   6     0.02   0.02  -0.00    -0.05  -0.04  -0.03    -0.01  -0.01   0.00
     4   6     0.00   0.00  -0.02    -0.03   0.04   0.00    -0.02   0.01   0.01
     5   6    -0.01   0.00  -0.01    -0.05  -0.04  -0.02    -0.02  -0.00   0.00
     6   6    -0.00   0.00   0.02    -0.06  -0.09  -0.03    -0.02  -0.01   0.00
     7   6     0.01  -0.01   0.01    -0.05   0.02   0.02    -0.00   0.01  -0.00
     8   6     0.00   0.00  -0.01    -0.02   0.02   0.02     0.01   0.01  -0.00
     9   6     0.03  -0.00  -0.01     0.06   0.07   0.01     0.02  -0.01   0.00
    10   6    -0.04  -0.01  -0.01     0.05   0.05   0.03     0.03   0.01  -0.02
    11   6     0.00   0.00  -0.02    -0.01   0.05  -0.01    -0.02   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.02   0.05  -0.02    -0.01   0.01  -0.01
    13   8    -0.00   0.02  -0.00     0.00   0.13   0.01    -0.00   0.04  -0.00
    14   8     0.00  -0.02   0.00     0.02   0.00   0.02     0.01  -0.01   0.00
    15   1     0.04   0.01   0.02    -0.06  -0.13  -0.06    -0.01  -0.02   0.00
    16   1     0.03   0.03  -0.01    -0.06  -0.05  -0.03    -0.01  -0.01  -0.00
    17   1    -0.02  -0.00  -0.02    -0.07  -0.04  -0.02    -0.02  -0.00   0.00
    18   1    -0.02   0.00   0.03    -0.06  -0.11  -0.05    -0.02  -0.02   0.00
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.03    -0.01   0.01  -0.00
    20   1     0.02   0.00   0.01    -0.04   0.03   0.03     0.00   0.01  -0.01
    21   1    -0.00   0.02  -0.03    -0.04  -0.04  -0.01     0.01   0.01  -0.00
    22   1     0.33  -0.25   0.05     0.27  -0.07  -0.02    -0.29   0.24  -0.07
    23   1    -0.33  -0.13  -0.02    -0.13   0.02   0.03     0.42   0.11  -0.03
    24   1     0.11   0.37  -0.06     0.13   0.32   0.02    -0.05  -0.42   0.10
    25   1    -0.17  -0.29  -0.28     0.11   0.20   0.13    -0.08  -0.20  -0.32
    26   1     0.33   0.13   0.00    -0.08   0.02   0.02     0.41   0.11  -0.00
    27   1    -0.33   0.13   0.28     0.20  -0.03  -0.05    -0.21   0.11   0.25
    28   1     0.01   0.01  -0.01    -0.02   0.09   0.00    -0.02   0.02  -0.00
    29   6    -0.02  -0.01   0.02     0.19  -0.14   0.03     0.03  -0.04   0.01
    30   1     0.01  -0.01   0.02     0.07   0.03   0.06     0.03   0.00   0.02
    31   1    -0.01  -0.01   0.04     0.16  -0.32  -0.08     0.02  -0.09  -0.00
    32   1    -0.02  -0.01   0.04     0.36  -0.06   0.19     0.08  -0.02   0.04
    33   1    -0.04  -0.04   0.01     0.26  -0.26   0.01     0.03  -0.07   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    281.9356               342.7546               352.7862
 Red. masses --      3.3470                 3.7261                 3.4106
 Frc consts  --      0.1567                 0.2579                 0.2501
 IR Inten    --      0.4993                 0.8138                 0.7419
 RamAct Fr= 1--      0.4028                 1.0173                 3.1998
  Dep-P Fr= 1--      0.5469                 0.5221                 0.4372
  Dep-U Fr= 1--      0.7071                 0.6861                 0.6084
 Alpha2 Fr= 1--      0.0016                 0.0045                 0.0206
 Beta2  Fr= 1--      0.0475                 0.1163                 0.3245
 AlphaG Fr= 1--      0.0024                 0.0088                -0.0080
 Gamma2 Fr= 1--     -0.0007                -0.3217                 0.5835
 Delta2 Fr= 1--      0.1327                -0.7890                 0.2357
 Raman1 Fr= 1--       1.611                  4.069                 12.799
 ROA1   Fr= 1--       4.178                -56.126                 63.555
 CID1   Fr= 1--       2.593                -13.792                  4.966
 Raman2 Fr= 1--       0.570                  1.396                  3.894
 ROA2   Fr= 1--      -1.078                 -1.408                 12.118
 CID2   Fr= 1--      -1.892                 -1.009                  3.112
 Raman3 Fr= 1--       1.139                  2.792                  7.787
 ROA3   Fr= 1--       4.178                -56.126                 63.555
 CID3   Fr= 1--       3.667                -20.103                  8.162
 RC180  Fr= 1--       0.414                  0.372                  0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02   0.11    -0.04   0.07   0.01     0.02   0.06   0.02
     2   6     0.05  -0.04   0.13     0.05   0.11  -0.05    -0.01   0.17   0.09
     3   6     0.09  -0.01   0.02    -0.04  -0.09   0.09    -0.00  -0.11  -0.10
     4   6     0.01  -0.01  -0.02     0.00  -0.12   0.10     0.00  -0.09  -0.09
     5   6    -0.03   0.01   0.04     0.10  -0.09   0.05    -0.05  -0.11  -0.07
     6   6    -0.00  -0.01   0.12     0.11   0.05  -0.03    -0.03   0.06   0.04
     7   6     0.03   0.01  -0.05     0.06   0.06  -0.07    -0.03   0.08   0.08
     8   6     0.00   0.03  -0.11     0.06  -0.01   0.08    -0.00   0.06  -0.02
     9   6    -0.11  -0.12  -0.10     0.01   0.01   0.09    -0.04  -0.16   0.03
    10   6     0.04   0.13  -0.02    -0.08  -0.16  -0.04    -0.03  -0.02  -0.13
    11   6    -0.01   0.02  -0.09    -0.03   0.01  -0.04     0.05   0.01   0.02
    12   6    -0.02   0.03  -0.08    -0.02   0.06  -0.10     0.04   0.03   0.06
    13   8    -0.05   0.14  -0.02    -0.07   0.19  -0.03     0.01  -0.03   0.05
    14   8     0.00  -0.09  -0.00    -0.02  -0.04  -0.03    -0.03   0.12   0.02
    15   1     0.16  -0.03   0.14    -0.14   0.13  -0.01     0.07   0.06   0.04
    16   1     0.14  -0.01  -0.02    -0.10  -0.13   0.12    -0.00  -0.19  -0.14
    17   1    -0.08   0.04   0.02     0.20  -0.14   0.08    -0.11  -0.17  -0.12
    18   1    -0.06  -0.00   0.17     0.18   0.07  -0.08    -0.05   0.06   0.05
    19   1    -0.13   0.02  -0.08     0.04   0.25  -0.11    -0.07  -0.04   0.10
    20   1     0.16   0.03  -0.11    -0.00  -0.07  -0.23    -0.07   0.12   0.16
    21   1     0.01   0.06  -0.10     0.08   0.03   0.11    -0.00   0.06  -0.02
    22   1    -0.16  -0.13   0.08     0.03  -0.01   0.09    -0.03  -0.24   0.26
    23   1    -0.15  -0.19  -0.18    -0.03   0.01   0.11    -0.08  -0.32  -0.17
    24   1    -0.14  -0.19  -0.16     0.01   0.04   0.05    -0.05  -0.22   0.05
    25   1     0.12   0.29   0.15    -0.09  -0.24   0.00    -0.04  -0.02  -0.18
    26   1    -0.14   0.17  -0.04    -0.17  -0.36  -0.01    -0.02  -0.18  -0.09
    27   1     0.22   0.01  -0.06    -0.15  -0.04  -0.27    -0.05   0.03  -0.26
    28   1    -0.00   0.10  -0.07    -0.14   0.11  -0.04     0.10  -0.02   0.03
    29   6    -0.07  -0.07   0.06    -0.02  -0.06   0.00     0.12  -0.01   0.00
    30   1     0.01  -0.06   0.11    -0.05  -0.02   0.06    -0.12   0.07  -0.07
    31   1    -0.04  -0.10   0.20    -0.01  -0.14   0.08     0.10  -0.08  -0.07
    32   1    -0.01  -0.05   0.10     0.06  -0.03  -0.00     0.18   0.02   0.03
    33   1    -0.22  -0.16   0.02    -0.11  -0.07  -0.01     0.18  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    389.8100               406.7442               420.3844
 Red. masses --      2.5216                 1.9381                 3.3094
 Frc consts  --      0.2258                 0.1889                 0.3446
 IR Inten    --      1.4281                 0.0486                 1.1967
 RamAct Fr= 1--      1.8301                 0.9686                 1.7603
  Dep-P Fr= 1--      0.3778                 0.1428                 0.1217
  Dep-U Fr= 1--      0.5484                 0.2500                 0.2170
 Alpha2 Fr= 1--      0.0146                 0.0152                 0.0292
 Beta2  Fr= 1--      0.1673                 0.0404                 0.0637
 AlphaG Fr= 1--     -0.0076                -0.0132                 0.0646
 Gamma2 Fr= 1--      0.0180                -0.0953                 1.6476
 Delta2 Fr= 1--     -0.1748                -0.0592                 0.4142
 Raman1 Fr= 1--       7.320                  3.874                  7.041
 ROA1   Fr= 1--      -3.870                -11.049                171.420
 CID1   Fr= 1--      -0.529                 -2.852                 24.346
 Raman2 Fr= 1--       2.007                  0.484                  0.764
 ROA2   Fr= 1--       1.830                 -1.814                 36.228
 CID2   Fr= 1--       0.912                 -3.747                 47.419
 Raman3 Fr= 1--       4.014                  0.968                  1.528
 ROA3   Fr= 1--      -3.870                -11.049                171.420
 CID3   Fr= 1--      -0.964                -11.409                112.188
 RC180  Fr= 1--       0.097                 -0.500                 -0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.02   0.05  -0.03     0.00   0.18   0.04
     2   6     0.00   0.08   0.03     0.03   0.01  -0.08    -0.07   0.02   0.02
     3   6    -0.01  -0.07  -0.03    -0.03  -0.05   0.04    -0.02  -0.16  -0.08
     4   6    -0.00  -0.10  -0.04    -0.02  -0.01   0.06     0.07  -0.02  -0.00
     5   6    -0.00  -0.06  -0.02     0.05   0.04   0.03     0.04   0.13   0.09
     6   6     0.01   0.06   0.02     0.02  -0.02  -0.09    -0.02  -0.17  -0.03
     7   6    -0.02  -0.08  -0.01     0.07  -0.06   0.14    -0.11   0.00   0.01
     8   6     0.06  -0.13  -0.06     0.03   0.03  -0.05    -0.09  -0.02   0.01
     9   6    -0.05   0.09  -0.13    -0.03  -0.06  -0.04     0.02   0.02   0.01
    10   6    -0.01  -0.01   0.16     0.01   0.07  -0.00     0.01   0.00  -0.01
    11   6     0.02  -0.00  -0.00    -0.05  -0.02   0.02     0.12   0.04  -0.02
    12   6     0.02   0.03   0.02    -0.03   0.00  -0.01     0.07  -0.00  -0.07
    13   8    -0.01   0.02   0.03    -0.00   0.04  -0.01    -0.04  -0.01  -0.03
    14   8    -0.02   0.07   0.00    -0.00   0.00  -0.01     0.01  -0.10  -0.00
    15   1     0.02   0.12   0.04    -0.10   0.12  -0.05     0.06   0.35   0.12
    16   1    -0.02  -0.11  -0.04    -0.07  -0.09   0.05    -0.09  -0.36  -0.11
    17   1    -0.01  -0.08  -0.03     0.13   0.07   0.08     0.02   0.32   0.14
    18   1     0.02   0.08   0.02     0.05  -0.06  -0.14     0.00  -0.34  -0.13
    19   1    -0.07  -0.14  -0.01     0.28  -0.47   0.26    -0.11   0.02   0.00
    20   1    -0.09  -0.10   0.01    -0.06   0.16   0.54    -0.12  -0.01  -0.01
    21   1     0.06  -0.13  -0.06     0.04   0.06  -0.05    -0.11  -0.07  -0.01
    22   1    -0.15   0.20  -0.28    -0.03  -0.10   0.10     0.06   0.02  -0.09
    23   1    -0.07   0.26   0.12    -0.10  -0.13  -0.11     0.08   0.03   0.01
    24   1    -0.10   0.10  -0.33    -0.04  -0.07  -0.09     0.05   0.03   0.12
    25   1    -0.01  -0.13   0.32     0.01   0.06   0.02     0.01   0.07  -0.09
    26   1    -0.06   0.30   0.10     0.01   0.14  -0.02     0.09   0.01   0.00
    27   1    -0.06  -0.03   0.38     0.02   0.05   0.05     0.04  -0.04   0.05
    28   1     0.02  -0.01  -0.00    -0.10  -0.01   0.01     0.10   0.11  -0.01
    29   6     0.04  -0.02  -0.00    -0.02  -0.02  -0.02     0.04   0.09   0.04
    30   1    -0.09   0.04  -0.04     0.06   0.02  -0.02    -0.16  -0.11   0.15
    31   1     0.03  -0.07  -0.03    -0.03  -0.05  -0.04     0.06   0.16   0.13
    32   1     0.09  -0.01   0.01    -0.01  -0.02  -0.03    -0.01   0.07   0.01
    33   1     0.05  -0.03  -0.00    -0.01  -0.00  -0.01    -0.03   0.09   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    426.6512               475.1605               561.8093
 Red. masses --      3.2221                 3.3424                 2.9733
 Frc consts  --      0.3456                 0.4446                 0.5529
 IR Inten    --      1.9970                 3.4841                32.4741
 RamAct Fr= 1--      2.7352                 0.8169                 0.1611
  Dep-P Fr= 1--      0.1193                 0.0980                 0.4220
  Dep-U Fr= 1--      0.2131                 0.1785                 0.5936
 Alpha2 Fr= 1--      0.0457                 0.0144                 0.0011
 Beta2  Fr= 1--      0.0972                 0.0243                 0.0159
 AlphaG Fr= 1--     -0.0854                 0.0048                -0.0090
 Gamma2 Fr= 1--     -1.2025                -0.0243                -0.0555
 Delta2 Fr= 1--     -0.0724                -0.0394                -0.0763
 Raman1 Fr= 1--      10.941                  3.268                  0.645
 ROA1   Fr= 1--    -117.752                 -3.594                 -7.770
 CID1   Fr= 1--     -10.762                 -1.100                -12.056
 Raman2 Fr= 1--       1.166                  0.292                  0.191
 ROA2   Fr= 1--     -28.280                 -0.268                 -0.722
 CID2   Fr= 1--     -24.257                 -0.919                 -3.773
 Raman3 Fr= 1--       2.332                  0.583                  0.383
 ROA3   Fr= 1--    -117.752                 -3.594                 -7.770
 CID3   Fr= 1--     -50.500                 -6.163                -20.311
 RC180  Fr= 1--      -0.574                 -0.643                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08   0.10    -0.04  -0.06   0.00     0.01  -0.06  -0.07
     2   6     0.07  -0.05   0.03     0.02   0.11   0.05    -0.04   0.16   0.05
     3   6     0.00  -0.09  -0.05    -0.05  -0.03  -0.01     0.04   0.02  -0.00
     4   6    -0.08   0.04  -0.03    -0.04   0.15   0.04     0.11   0.18   0.08
     5   6    -0.03   0.17  -0.01    -0.07  -0.01  -0.03     0.06   0.00   0.06
     6   6    -0.04  -0.14  -0.04    -0.06  -0.05  -0.03     0.03  -0.10  -0.00
     7   6     0.11   0.02  -0.08     0.07   0.08   0.01    -0.10   0.07   0.04
     8   6     0.09   0.02   0.02     0.21   0.01  -0.02     0.01  -0.02  -0.01
     9   6     0.00   0.02   0.01    -0.03  -0.02  -0.05    -0.01  -0.01  -0.03
    10   6    -0.02  -0.04  -0.01    -0.02  -0.05   0.03    -0.00  -0.03   0.02
    11   6    -0.12  -0.05   0.02    -0.02   0.09   0.07     0.05  -0.06  -0.10
    12   6    -0.08  -0.00   0.09    -0.03  -0.01  -0.05     0.01  -0.03   0.04
    13   8     0.06  -0.01   0.04    -0.01  -0.06  -0.08     0.02   0.02   0.06
    14   8    -0.01   0.12   0.01     0.04  -0.15   0.02    -0.02   0.07  -0.02
    15   1     0.07   0.22   0.14    -0.07  -0.20  -0.05     0.01  -0.37  -0.16
    16   1     0.07  -0.20  -0.15    -0.04  -0.16  -0.08    -0.05  -0.24  -0.06
    17   1    -0.01   0.32   0.05    -0.09  -0.14  -0.08     0.00  -0.25  -0.04
    18   1    -0.14  -0.28  -0.03    -0.13  -0.20  -0.05     0.06  -0.38  -0.17
    19   1     0.02   0.22  -0.14    -0.01   0.07   0.00    -0.14   0.03   0.04
    20   1     0.19  -0.07  -0.27     0.02   0.03  -0.02    -0.17   0.05   0.05
    21   1     0.11   0.07   0.03     0.21   0.02  -0.02    -0.01  -0.09  -0.03
    22   1    -0.01   0.01   0.07    -0.15   0.02   0.13    -0.03   0.01  -0.02
    23   1    -0.05   0.01   0.04    -0.16  -0.01   0.01    -0.02   0.01  -0.00
    24   1    -0.02   0.02  -0.07    -0.11  -0.07  -0.32    -0.02  -0.02  -0.08
    25   1    -0.03  -0.11   0.06    -0.05  -0.28   0.21    -0.01  -0.07   0.05
    26   1    -0.09  -0.09  -0.00    -0.17  -0.02   0.01    -0.02  -0.00   0.01
    27   1    -0.08   0.03  -0.11    -0.17   0.08  -0.06    -0.03  -0.01   0.03
    28   1    -0.08  -0.15   0.01    -0.02   0.14   0.08     0.02  -0.16  -0.12
    29   6    -0.04  -0.10  -0.05     0.06   0.12   0.06    -0.10  -0.09  -0.07
    30   1     0.20   0.13  -0.18     0.20  -0.07   0.21    -0.05   0.02  -0.19
    31   1    -0.06  -0.17  -0.15     0.05   0.11  -0.00    -0.06   0.04   0.11
    32   1     0.02  -0.07  -0.01     0.06   0.11   0.02    -0.20  -0.12  -0.01
    33   1     0.04  -0.11  -0.04     0.11   0.18   0.08    -0.25  -0.21  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --    574.6024               626.7040               643.7009
 Red. masses --      1.9074                 2.0760                 2.7198
 Frc consts  --      0.3710                 0.4804                 0.6640
 IR Inten    --     34.4608                36.9723                33.0647
 RamAct Fr= 1--      1.2127                 1.4588                 2.7978
  Dep-P Fr= 1--      0.5009                 0.4655                 0.6757
  Dep-U Fr= 1--      0.6675                 0.6353                 0.8064
 Alpha2 Fr= 1--      0.0060                 0.0084                 0.0037
 Beta2  Fr= 1--      0.1349                 0.1545                 0.3760
 AlphaG Fr= 1--      0.0127                 0.0151                -0.0065
 Gamma2 Fr= 1--     -0.4162                -0.9316                -0.2029
 Delta2 Fr= 1--     -0.0462                 0.4156                -0.4328
 Raman1 Fr= 1--       4.851                  5.835                 11.191
 ROA1   Fr= 1--     -41.438                -76.133                -33.322
 CID1   Fr= 1--      -8.542                -13.047                 -2.978
 Raman2 Fr= 1--       1.619                  1.853                  4.513
 ROA2   Fr= 1--      -9.620                -25.682                 -1.407
 CID2   Fr= 1--      -5.942                -13.856                 -0.312
 Raman3 Fr= 1--       3.238                  3.707                  9.025
 ROA3   Fr= 1--     -41.438                -76.133                -33.322
 CID3   Fr= 1--     -12.798                -20.538                 -3.692
 RC180  Fr= 1--       0.335                  0.271                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02   0.01    -0.04  -0.02  -0.02     0.06   0.02  -0.09
     2   6     0.05   0.07   0.03    -0.07  -0.06  -0.00    -0.04  -0.02  -0.06
     3   6     0.04  -0.05  -0.02    -0.03   0.05  -0.04     0.09  -0.03   0.06
     4   6     0.01   0.05   0.01     0.05  -0.07  -0.05     0.03  -0.07   0.03
     5   6     0.04  -0.04  -0.05     0.03   0.02   0.02    -0.07  -0.03   0.12
     6   6     0.06   0.03   0.00     0.01  -0.05   0.04    -0.09   0.02  -0.03
     7   6    -0.02  -0.05  -0.01    -0.04   0.07   0.04    -0.02   0.03  -0.00
     8   6    -0.12  -0.03   0.00     0.08   0.02  -0.00     0.04   0.01   0.00
     9   6    -0.00   0.01   0.01     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    10   6    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.00  -0.01   0.00
    11   6    -0.06   0.01   0.06     0.08  -0.06   0.03     0.02   0.09  -0.13
    12   6    -0.13  -0.01   0.01    -0.03  -0.06  -0.00     0.03   0.08   0.01
    13   8     0.00   0.02  -0.03    -0.01   0.09   0.05    -0.02  -0.11  -0.05
    14   8    -0.03  -0.04   0.01    -0.07  -0.02  -0.07    -0.04   0.03   0.13
    15   1     0.06  -0.07  -0.02     0.04   0.10   0.05     0.03   0.13  -0.07
    16   1     0.06  -0.18  -0.10    -0.04   0.22   0.04     0.03   0.05   0.15
    17   1     0.05  -0.19  -0.09    -0.02   0.21   0.06    -0.03   0.07   0.17
    18   1     0.04  -0.06  -0.03     0.05   0.10   0.08     0.00   0.13  -0.05
    19   1    -0.04  -0.04  -0.02    -0.04   0.05   0.04    -0.01   0.06  -0.00
    20   1    -0.03  -0.05  -0.01    -0.04   0.07   0.03    -0.02   0.01  -0.03
    21   1    -0.11  -0.01   0.01     0.06  -0.06  -0.03     0.02  -0.02  -0.01
    22   1     0.07  -0.01  -0.14    -0.07   0.01   0.11    -0.03   0.01   0.04
    23   1     0.08   0.03   0.00    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00
    24   1     0.05   0.06   0.16    -0.04  -0.06  -0.15    -0.02  -0.02  -0.06
    25   1     0.02   0.16  -0.09    -0.02  -0.14   0.08    -0.01  -0.06   0.03
    26   1     0.08   0.03   0.00    -0.06  -0.03   0.00    -0.02  -0.02   0.00
    27   1     0.10  -0.09   0.08    -0.08   0.07  -0.05    -0.04   0.03  -0.03
    28   1    -0.02   0.01   0.07     0.13  -0.05   0.05    -0.03   0.05  -0.15
    29   6     0.01   0.03   0.02     0.03   0.03   0.03    -0.02  -0.02  -0.03
    30   1     0.77   0.14  -0.14     0.63   0.08  -0.42     0.72   0.22   0.09
    31   1    -0.01   0.01  -0.07     0.04   0.14   0.03     0.01  -0.07   0.11
    32   1     0.00   0.02  -0.04    -0.08  -0.03  -0.09     0.07   0.04   0.15
    33   1     0.09   0.11   0.05     0.05   0.13   0.05    -0.15  -0.23  -0.10
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.9918               708.2046               759.2806
 Red. masses --      5.0120                 2.9520                 4.0275
 Frc consts  --      1.3098                 0.8724                 1.3680
 IR Inten    --      8.6141                35.4656                12.7880
 RamAct Fr= 1--      4.8017                 0.1971                 7.6673
  Dep-P Fr= 1--      0.5348                 0.7483                 0.0056
  Dep-U Fr= 1--      0.6969                 0.8560                 0.0112
 Alpha2 Fr= 1--      0.0199                 0.0000                 0.1682
 Beta2  Fr= 1--      0.5577                 0.0281                 0.0143
 AlphaG Fr= 1--     -0.0638                -0.0006                -0.0194
 Gamma2 Fr= 1--      0.1146                 0.4708                 0.4255
 Delta2 Fr= 1--     -0.0013                -0.0389                -0.0228
 Raman1 Fr= 1--      19.207                  0.788                 30.669
 ROA1   Fr= 1--      10.965                 43.949                 40.119
 CID1   Fr= 1--       0.571                 55.748                  1.308
 Raman2 Fr= 1--       6.693                  0.337                  0.171
 ROA2   Fr= 1--       2.762                 11.609                 10.394
 CID2   Fr= 1--       0.413                 34.406                 60.621
 Raman3 Fr= 1--      13.385                  0.675                  0.343
 ROA3   Fr= 1--      10.965                 43.949                 40.119
 CID3   Fr= 1--       0.819                 65.126                116.991
 RC180  Fr= 1--       0.394                  0.712                 -0.978
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.16     0.09  -0.05  -0.08    -0.01  -0.14   0.05
     2   6    -0.01  -0.04   0.07    -0.03   0.01   0.01     0.10   0.19   0.07
     3   6    -0.21   0.07  -0.10     0.11   0.02  -0.02     0.02   0.09   0.12
     4   6     0.01   0.01  -0.08     0.01  -0.09  -0.03    -0.11  -0.18  -0.06
     5   6     0.20   0.02  -0.14     0.08   0.02   0.01     0.00   0.15  -0.05
     6   6     0.23  -0.08   0.12     0.06  -0.07  -0.01    -0.03  -0.07  -0.13
     7   6    -0.02   0.01   0.03    -0.13   0.15   0.07     0.04   0.06   0.02
     8   6     0.01   0.00  -0.00    -0.01  -0.01  -0.00    -0.10  -0.03   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.07    -0.02  -0.02  -0.06
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.03    -0.01  -0.05   0.03
    11   6    -0.00   0.08  -0.11    -0.12   0.00   0.10    -0.01  -0.00   0.01
    12   6     0.03   0.12  -0.01    -0.14   0.04   0.01     0.21   0.02  -0.05
    13   8    -0.03  -0.11  -0.09     0.02   0.00  -0.09    -0.05  -0.01   0.05
    14   8     0.00   0.04   0.14     0.07   0.01   0.03    -0.07  -0.02  -0.00
    15   1    -0.10  -0.02   0.20     0.19   0.09   0.01    -0.12  -0.35  -0.06
    16   1    -0.16   0.12  -0.11     0.16   0.28   0.06     0.13   0.22   0.09
    17   1     0.13   0.11  -0.14     0.14   0.27   0.12     0.11   0.25   0.02
    18   1     0.20  -0.03   0.17     0.14   0.10   0.00    -0.16  -0.31  -0.15
    19   1     0.03  -0.11   0.07    -0.15   0.15   0.07    -0.00   0.07   0.01
    20   1    -0.05   0.08   0.14    -0.13   0.13   0.05     0.01   0.05   0.03
    21   1     0.01  -0.03  -0.00    -0.06  -0.17  -0.06    -0.08   0.03   0.02
    22   1    -0.02  -0.00   0.02    -0.04  -0.00  -0.03     0.07  -0.03  -0.21
    23   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.06     0.06   0.01  -0.07
    24   1    -0.01  -0.02  -0.02    -0.02  -0.04  -0.11     0.04   0.04   0.09
    25   1    -0.00  -0.04   0.03    -0.00  -0.11   0.06     0.02   0.10  -0.05
    26   1    -0.01  -0.01   0.01    -0.01  -0.06   0.03     0.08  -0.03   0.04
    27   1    -0.01   0.01  -0.00    -0.03  -0.03   0.03     0.11  -0.16   0.12
    28   1    -0.04   0.04  -0.13    -0.07   0.01   0.11    -0.05   0.12   0.03
    29   6    -0.04  -0.04  -0.06    -0.03  -0.01   0.01     0.01   0.01   0.01
    30   1     0.33   0.16   0.30    -0.34  -0.02   0.34     0.25   0.03  -0.16
    31   1    -0.02  -0.12   0.04    -0.08  -0.14  -0.21    -0.01  -0.08  -0.06
    32   1     0.06   0.02   0.12     0.05   0.00  -0.08     0.10   0.04   0.01
    33   1    -0.15  -0.24  -0.12     0.16   0.12   0.06     0.08   0.04   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    785.5583               822.9498               832.2749
 Red. masses --      3.0906                 3.3060                 2.5160
 Frc consts  --      1.1237                 1.3192                 1.0268
 IR Inten    --      1.3590                 9.3489                 0.9230
 RamAct Fr= 1--     30.3322                 3.7512                11.5846
  Dep-P Fr= 1--      0.0219                 0.1993                 0.1285
  Dep-U Fr= 1--      0.0428                 0.3323                 0.2277
 Alpha2 Fr= 1--      0.6404                 0.0510                 0.1891
 Beta2  Fr= 1--      0.2165                 0.2078                 0.4396
 AlphaG Fr= 1--     -0.0259                -0.0140                 0.0338
 Gamma2 Fr= 1--     -1.5061                 0.3343                 1.5210
 Delta2 Fr= 1--     -0.1265                 0.0595                 0.1233
 Raman1 Fr= 1--     121.329                 15.005                 46.339
 ROA1   Fr= 1--    -148.635                 33.998                149.964
 CID1   Fr= 1--      -1.225                  2.266                  3.236
 Raman2 Fr= 1--       2.597                  2.493                  5.275
 ROA2   Fr= 1--     -35.135                  7.548                 35.519
 CID2   Fr= 1--     -13.526                  3.027                  6.734
 Raman3 Fr= 1--       5.195                  4.987                 10.550
 ROA3   Fr= 1--    -148.635                 33.998                149.964
 CID3   Fr= 1--     -28.612                  6.818                 14.215
 RC180  Fr= 1--      -0.914                 -0.335                 -0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.08     0.06   0.05  -0.00    -0.03   0.04  -0.05
     2   6     0.03  -0.11  -0.05    -0.04  -0.13  -0.03    -0.01  -0.03  -0.01
     3   6    -0.01  -0.09   0.04     0.05  -0.01  -0.03    -0.05   0.06  -0.06
     4   6    -0.03   0.13   0.05    -0.02   0.08   0.04     0.04  -0.03  -0.01
     5   6    -0.01  -0.05  -0.08     0.03   0.01  -0.04    -0.04   0.02   0.09
     6   6    -0.00   0.05  -0.04     0.03   0.06   0.01    -0.04   0.02   0.07
     7   6     0.03   0.19   0.07    -0.10   0.02   0.03     0.13   0.04   0.00
     8   6    -0.11   0.02   0.02     0.04   0.01   0.00    -0.06   0.04   0.02
     9   6    -0.01  -0.03  -0.16     0.02   0.01   0.01    -0.01  -0.01  -0.10
    10   6     0.02  -0.13   0.10     0.01   0.02  -0.01     0.00  -0.07   0.07
    11   6     0.01   0.04  -0.06    -0.09  -0.03   0.14     0.07  -0.11   0.07
    12   6     0.03  -0.04   0.02     0.28   0.06  -0.10    -0.02   0.06  -0.05
    13   8     0.02  -0.01   0.06    -0.07  -0.01   0.02    -0.03   0.02  -0.08
    14   8    -0.01  -0.02  -0.04    -0.06  -0.02   0.02     0.01   0.04   0.07
    15   1    -0.03   0.32   0.16     0.12   0.01   0.01    -0.02  -0.12  -0.10
    16   1     0.04  -0.05   0.02     0.07  -0.24  -0.16    -0.15  -0.11  -0.07
    17   1     0.06   0.02  -0.03     0.01  -0.33  -0.16    -0.19  -0.28  -0.06
    18   1    -0.01   0.36   0.11     0.02  -0.03  -0.03    -0.06  -0.25  -0.04
    19   1     0.14   0.22   0.08    -0.10   0.06   0.02     0.21   0.11   0.00
    20   1     0.12   0.24   0.08    -0.06   0.01  -0.02     0.23   0.07  -0.01
    21   1    -0.12  -0.04  -0.00    -0.01  -0.14  -0.06    -0.02   0.16   0.06
    22   1     0.05  -0.06  -0.23    -0.06   0.03   0.14     0.07  -0.06  -0.17
    23   1     0.06  -0.06  -0.23    -0.06  -0.01   0.02     0.06  -0.05  -0.20
    24   1     0.03  -0.01  -0.03    -0.03  -0.05  -0.12     0.03   0.01   0.05
    25   1     0.03  -0.03   0.01    -0.01  -0.10   0.05     0.02   0.05  -0.04
    26   1     0.10  -0.20   0.12    -0.05   0.01  -0.02     0.10  -0.16   0.09
    27   1     0.09  -0.19   0.12    -0.08   0.10  -0.07     0.10  -0.15   0.07
    28   1    -0.04  -0.01  -0.08    -0.12   0.24   0.19     0.14  -0.05   0.10
    29   6     0.01   0.02  -0.01    -0.08  -0.08  -0.02    -0.00  -0.06   0.00
    30   1    -0.01  -0.05  -0.18     0.17   0.04  -0.02     0.06   0.10   0.26
    31   1     0.03   0.04   0.12    -0.14  -0.20  -0.32    -0.00   0.11  -0.06
    32   1     0.02   0.04   0.11     0.00  -0.08  -0.21    -0.20  -0.17  -0.26
    33   1    -0.11  -0.12  -0.06     0.19   0.18   0.08     0.06   0.18   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --    856.0954               857.7443               869.9837
 Red. masses --      1.3089                 3.2313                 1.7783
 Frc consts  --      0.5652                 1.4007                 0.7930
 IR Inten    --      1.6830                 5.8184                23.1868
 RamAct Fr= 1--      1.4200                 9.0267                 2.8892
  Dep-P Fr= 1--      0.3379                 0.2399                 0.0879
  Dep-U Fr= 1--      0.5051                 0.3870                 0.1617
 Alpha2 Fr= 1--      0.0130                 0.1100                 0.0521
 Beta2  Fr= 1--      0.1195                 0.5822                 0.0778
 AlphaG Fr= 1--     -0.0199                -0.0424                -0.0004
 Gamma2 Fr= 1--     -0.5532                 0.5336                 0.4988
 Delta2 Fr= 1--     -0.2960                -0.4481                 0.5164
 Raman1 Fr= 1--       5.680                 36.107                 11.557
 ROA1   Fr= 1--     -62.577                 36.888                 64.411
 CID1   Fr= 1--     -11.017                  1.022                  5.573
 Raman2 Fr= 1--       1.434                  6.987                  0.934
 ROA2   Fr= 1--     -10.908                 16.391                  7.840
 CID2   Fr= 1--      -7.604                  2.346                  8.393
 Raman3 Fr= 1--       2.869                 13.974                  1.868
 ROA3   Fr= 1--     -62.577                 36.888                 64.411
 CID3   Fr= 1--     -21.812                  2.640                 34.478
 RC180  Fr= 1--       0.010                 -0.226                 -0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01    -0.01  -0.04   0.15    -0.02  -0.09  -0.04
     2   6     0.00   0.02   0.01     0.02  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.00   0.06   0.01     0.05  -0.05   0.15    -0.02  -0.08  -0.05
     4   6     0.01   0.03   0.01    -0.03   0.00   0.01     0.03   0.11   0.04
     5   6    -0.02  -0.09  -0.03     0.01   0.06  -0.14    -0.02  -0.04  -0.01
     6   6    -0.02  -0.07  -0.02    -0.06   0.07  -0.14    -0.02  -0.04  -0.01
     7   6     0.02  -0.01   0.01    -0.11   0.02   0.02     0.05  -0.02  -0.01
     8   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.01    -0.01  -0.04  -0.01
     9   6    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.01  -0.01   0.03
    10   6    -0.01   0.00  -0.00     0.01   0.03  -0.03    -0.02   0.01  -0.03
    11   6     0.01  -0.02   0.03     0.16  -0.13   0.01     0.03  -0.03   0.05
    12   6     0.02   0.01  -0.02    -0.08   0.05  -0.03     0.05   0.02  -0.03
    13   8    -0.01   0.00  -0.01    -0.02   0.03  -0.08    -0.02   0.01  -0.02
    14   8    -0.00   0.01   0.01     0.02   0.06   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.36  -0.14    -0.14  -0.03   0.11     0.07   0.57   0.20
    16   1    -0.07  -0.36  -0.14     0.13  -0.15   0.04     0.05   0.52   0.19
    17   1     0.06   0.56   0.21     0.10  -0.07  -0.14    -0.01   0.21   0.08
    18   1     0.06   0.50   0.19    -0.16   0.06  -0.07    -0.00   0.21   0.09
    19   1    -0.01   0.03  -0.01    -0.13   0.01   0.02    -0.03  -0.04  -0.02
    20   1     0.02  -0.04  -0.04    -0.13   0.00   0.01    -0.01  -0.06  -0.03
    21   1     0.01   0.03  -0.00    -0.02  -0.17  -0.06     0.02   0.07   0.02
    22   1     0.00  -0.00  -0.01    -0.05   0.03   0.11     0.02  -0.00  -0.06
    23   1     0.01   0.00   0.01    -0.05   0.01   0.08     0.02   0.04   0.07
    24   1     0.00   0.01   0.00    -0.03  -0.03  -0.08     0.01   0.04   0.07
    25   1     0.00   0.04  -0.02    -0.01  -0.07   0.04     0.00   0.09  -0.03
    26   1     0.01   0.01  -0.00    -0.06   0.06  -0.04     0.01   0.08  -0.04
    27   1     0.02  -0.02   0.01    -0.07   0.09  -0.04     0.03  -0.04   0.04
    28   1     0.01   0.00   0.03     0.23  -0.19   0.01     0.04   0.04   0.07
    29   6    -0.01  -0.02  -0.01     0.06  -0.05   0.00    -0.03  -0.07  -0.02
    30   1     0.02   0.02   0.03     0.04   0.10   0.24     0.04   0.03   0.06
    31   1    -0.01   0.02  -0.03     0.11   0.33   0.18    -0.03   0.06  -0.04
    32   1    -0.06  -0.05  -0.07    -0.31  -0.20  -0.22    -0.15  -0.13  -0.18
    33   1     0.00   0.04   0.01    -0.09   0.12   0.02     0.00   0.09   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7413               942.7612               958.7782
 Red. masses --      1.5468                 1.2134                 1.5498
 Frc consts  --      0.7394                 0.6354                 0.8394
 IR Inten    --      0.1895                 0.3212                 0.0395
 RamAct Fr= 1--      0.5674                 0.3106                 6.0660
  Dep-P Fr= 1--      0.7025                 0.7499                 0.7428
  Dep-U Fr= 1--      0.8253                 0.8571                 0.8524
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0780                 0.0444                 0.8618
 AlphaG Fr= 1--     -0.0008                -0.0001                 0.0097
 Gamma2 Fr= 1--      0.3172                -0.0586                 0.4033
 Delta2 Fr= 1--      0.2557                -0.0167                -1.0503
 Raman1 Fr= 1--       2.270                  1.242                 24.264
 ROA1   Fr= 1--      38.636                 -6.161                  5.106
 CID1   Fr= 1--      17.023                 -4.959                  0.210
 Raman2 Fr= 1--       0.937                  0.532                 10.341
 ROA2   Fr= 1--       5.568                 -1.273                 18.081
 CID2   Fr= 1--       5.945                 -2.391                  1.748
 Raman3 Fr= 1--       1.873                  1.065                 20.683
 ROA3   Fr= 1--      38.636                 -6.161                  5.106
 CID3   Fr= 1--      20.627                 -5.785                  0.247
 RC180  Fr= 1--       0.651                  0.714                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00  -0.00   0.01
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00   0.02   0.01
     5   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.09  -0.05
     6   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.10   0.03
     7   6     0.02  -0.06   0.16    -0.01   0.03  -0.06    -0.04  -0.07  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.08   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.06
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.06
    11   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.03   0.03  -0.03     0.01  -0.01   0.02    -0.01  -0.04  -0.00
    16   1    -0.06   0.03   0.04     0.03  -0.00  -0.01     0.04   0.13   0.06
    17   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.09   0.56   0.19
    18   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.08  -0.56  -0.22
    19   1    -0.16   0.49   0.01     0.08  -0.20  -0.00    -0.05  -0.05  -0.02
    20   1     0.12  -0.36  -0.35    -0.06   0.14   0.15    -0.04  -0.07  -0.01
    21   1    -0.02   0.07  -0.20    -0.03   0.10  -0.27     0.01   0.09   0.03
    22   1    -0.10   0.04   0.14    -0.11   0.11  -0.15     0.01  -0.02   0.13
    23   1    -0.13  -0.02   0.01    -0.12   0.17   0.41     0.00  -0.10  -0.25
    24   1    -0.05  -0.09  -0.33    -0.03   0.06  -0.37    -0.01  -0.07  -0.01
    25   1    -0.01   0.29  -0.19    -0.05   0.20  -0.31    -0.01  -0.05  -0.04
    26   1     0.13   0.02  -0.00     0.19  -0.39   0.16     0.05  -0.23   0.11
    27   1     0.13  -0.11   0.05     0.07   0.03  -0.20    -0.02   0.06  -0.11
    28   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.02   0.02   0.01
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.03    -0.01  -0.00  -0.01    -0.01   0.01  -0.01
    32   1     0.01   0.02   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.03
    33   1    -0.03  -0.03  -0.02     0.01   0.01   0.01    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    970.0690               973.8051               982.0901
 Red. masses --      1.6845                 1.5729                 1.4181
 Frc consts  --      0.9339                 0.8788                 0.8058
 IR Inten    --      0.2446                 0.0142                 0.0483
 RamAct Fr= 1--      4.3678                 2.6938                 0.2584
  Dep-P Fr= 1--      0.7415                 0.7490                 0.6502
  Dep-U Fr= 1--      0.8516                 0.8565                 0.7880
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0005
 Beta2  Fr= 1--      0.6199                 0.3845                 0.0339
 AlphaG Fr= 1--      0.0131                -0.0004                -0.0017
 Gamma2 Fr= 1--     -1.4989                -0.0574                 0.6342
 Delta2 Fr= 1--      0.7959                -0.0105                 0.0329
 Raman1 Fr= 1--      17.471                 10.775                  1.033
 ROA1   Fr= 1--    -118.424                 -5.844                 61.934
 CID1   Fr= 1--      -6.778                 -0.542                 59.930
 Raman2 Fr= 1--       7.439                  4.614                  0.407
 ROA2   Fr= 1--     -42.340                 -1.294                 14.958
 CID2   Fr= 1--      -5.692                 -0.280                 36.734
 Raman3 Fr= 1--      14.878                  9.229                  0.814
 ROA3   Fr= 1--    -118.424                 -5.844                 61.934
 CID3   Fr= 1--      -7.960                 -0.633                 76.051
 RC180  Fr= 1--       0.703                  0.713                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02     0.00  -0.00   0.01    -0.01  -0.11  -0.05
     2   6    -0.01   0.04   0.02    -0.00   0.00  -0.00    -0.01   0.03   0.01
     3   6     0.01  -0.06  -0.00     0.01  -0.00   0.00     0.02   0.10   0.04
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.07   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
     6   6    -0.01  -0.08  -0.04    -0.00  -0.01   0.00     0.00  -0.02  -0.00
     7   6    -0.05  -0.11  -0.03    -0.01   0.01  -0.05    -0.02  -0.05  -0.02
     8   6     0.01   0.10   0.04    -0.01   0.05  -0.10     0.01   0.04   0.02
     9   6     0.00   0.04  -0.07     0.05   0.09   0.09    -0.00   0.02  -0.03
    10   6     0.02  -0.00   0.08    -0.03  -0.13   0.02     0.00  -0.00   0.03
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.03  -0.22  -0.07     0.00  -0.01   0.01     0.09   0.62   0.22
    16   1     0.06   0.30   0.12     0.02   0.00  -0.00    -0.06  -0.60  -0.23
    17   1    -0.02  -0.35  -0.14    -0.02  -0.02  -0.01    -0.00  -0.05  -0.03
    18   1     0.07   0.48   0.17     0.00   0.04   0.02     0.02   0.09   0.04
    19   1    -0.10  -0.11  -0.04     0.01  -0.12  -0.02    -0.06  -0.07  -0.02
    20   1    -0.09  -0.12  -0.03    -0.02   0.09   0.06    -0.06  -0.07  -0.02
    21   1     0.04   0.16   0.08    -0.04   0.14  -0.34     0.03   0.10   0.04
    22   1     0.03  -0.04   0.11    -0.12   0.06   0.56     0.02  -0.02   0.05
    23   1     0.04  -0.11  -0.30    -0.14  -0.11  -0.09     0.02  -0.05  -0.14
    24   1     0.00  -0.06   0.03    -0.07  -0.14  -0.10     0.00  -0.02   0.03
    25   1    -0.02  -0.05  -0.07     0.06   0.18  -0.00    -0.01   0.00  -0.04
    26   1     0.07  -0.31   0.14     0.13   0.11  -0.01     0.05  -0.13   0.06
    27   1    -0.02   0.10  -0.16     0.22  -0.40   0.32    -0.00   0.03  -0.06
    28   1     0.01   0.02   0.00     0.01   0.01   0.00    -0.04  -0.05  -0.02
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.02
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.02   0.03   0.04
    33   1     0.01   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7583              1046.8568              1083.8084
 Red. masses --      1.9263                 2.8537                 2.1334
 Frc consts  --      1.1687                 1.8426                 1.4765
 IR Inten    --      2.3007                 4.2446                52.2738
 RamAct Fr= 1--     11.8549                 0.1282                 2.9368
  Dep-P Fr= 1--      0.2223                 0.5245                 0.6861
  Dep-U Fr= 1--      0.3638                 0.6881                 0.8138
 Alpha2 Fr= 1--      0.1516                 0.0006                 0.0033
 Beta2  Fr= 1--      0.7187                 0.0147                 0.3983
 AlphaG Fr= 1--      0.0145                -0.0024                 0.0093
 Gamma2 Fr= 1--     -0.4633                 0.0281                 1.2092
 Delta2 Fr= 1--     -1.5241                 0.1507                 2.0484
 Raman1 Fr= 1--      47.419                  0.513                 11.747
 ROA1   Fr= 1--     -93.252                  7.517                181.635
 CID1   Fr= 1--      -1.967                 14.660                 15.462
 Raman2 Fr= 1--       8.625                  0.176                  4.780
 ROA2   Fr= 1--       1.073                 -0.532                 12.634
 CID2   Fr= 1--       0.124                 -3.017                  2.643
 Raman3 Fr= 1--      17.250                  0.353                  9.560
 ROA3   Fr= 1--     -93.252                  7.517                181.635
 CID3   Fr= 1--      -5.406                 21.304                 18.999
 RC180  Fr= 1--      -0.272                  0.376                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06    -0.00  -0.07   0.19     0.01   0.01  -0.03
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.02   0.04
     3   6     0.00   0.01   0.05    -0.05   0.08  -0.19    -0.01   0.01   0.00
     4   6     0.06  -0.02  -0.04     0.04  -0.00   0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02    -0.01  -0.07   0.18     0.02   0.02  -0.05
     6   6    -0.03   0.02  -0.03    -0.06   0.08  -0.19    -0.05   0.02  -0.03
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.00     0.01  -0.01   0.02
     8   6     0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.07
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.02  -0.01   0.04
    10   6    -0.00   0.00  -0.01     0.01   0.00   0.01     0.02  -0.02   0.03
    11   6     0.10   0.15  -0.02    -0.01  -0.02   0.02     0.09   0.03   0.17
    12   6    -0.07  -0.02   0.04     0.00  -0.00  -0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02    -0.00   0.00   0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06     0.32  -0.14   0.31     0.06   0.01  -0.01
    16   1    -0.04  -0.15   0.01     0.20   0.10  -0.37    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01     0.30  -0.15   0.29     0.09  -0.02  -0.04
    18   1    -0.00   0.03  -0.05     0.20   0.12  -0.37    -0.18  -0.01   0.05
    19   1     0.03   0.03   0.00    -0.05  -0.02  -0.00    -0.25  -0.06  -0.02
    20   1    -0.03  -0.03  -0.01    -0.02  -0.00   0.00     0.25   0.07  -0.03
    21   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00   0.07  -0.09
    22   1     0.00  -0.00  -0.01    -0.00   0.00   0.02     0.01   0.00  -0.09
    23   1     0.00  -0.01  -0.02    -0.00  -0.01  -0.01     0.03   0.05   0.11
    24   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.07   0.09
    25   1     0.00   0.02  -0.00    -0.00  -0.02  -0.00     0.00  -0.08   0.01
    26   1    -0.00   0.03  -0.01    -0.00  -0.03   0.01     0.00  -0.10   0.04
    27   1     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.01   0.03  -0.04
    28   1     0.46   0.44   0.11    -0.10  -0.07  -0.01     0.05  -0.30   0.09
    29   6    -0.12  -0.08  -0.02     0.00   0.02  -0.01    -0.06   0.02  -0.12
    30   1    -0.01  -0.04  -0.06     0.00   0.00   0.01     0.08   0.06   0.26
    31   1    -0.21  -0.26  -0.44     0.01  -0.03   0.04    -0.04  -0.25   0.06
    32   1     0.06  -0.06  -0.23     0.03   0.04   0.07     0.13   0.13   0.27
    33   1     0.22   0.16   0.08    -0.03  -0.06  -0.03    -0.18  -0.41  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1094.9762              1103.6130              1110.5701
 Red. masses --      1.5980                 2.0149                 1.4884
 Frc consts  --      1.1288                 1.4459                 1.0816
 IR Inten    --      7.7307                38.3290                 2.1508
 RamAct Fr= 1--      3.4319                 8.0302                 3.9464
  Dep-P Fr= 1--      0.6163                 0.1996                 0.2317
  Dep-U Fr= 1--      0.7626                 0.3327                 0.3762
 Alpha2 Fr= 1--      0.0084                 0.1092                 0.0492
 Beta2  Fr= 1--      0.4362                 0.4453                 0.2474
 AlphaG Fr= 1--     -0.0197                 0.0790                -0.0265
 Gamma2 Fr= 1--     -0.6335                -2.4753                 0.6372
 Delta2 Fr= 1--     -0.0944                -0.7509                 0.5387
 Raman1 Fr= 1--      13.727                 32.121                 15.786
 ROA1   Fr= 1--     -63.834               -261.660                 78.408
 CID1   Fr= 1--      -4.650                 -8.146                  4.967
 Raman2 Fr= 1--       5.234                  5.344                  2.969
 ROA2   Fr= 1--     -14.449                -53.400                 10.983
 CID2   Fr= 1--      -2.761                 -9.993                  3.699
 Raman3 Fr= 1--      10.468                 10.687                  5.939
 ROA3   Fr= 1--     -63.834               -261.660                 78.408
 CID3   Fr= 1--      -6.098                -24.484                 13.203
 RC180  Fr= 1--       0.525                 -0.335                 -0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05     0.02  -0.01   0.01     0.01   0.01   0.01
     2   6     0.02  -0.01   0.04     0.02   0.02  -0.03    -0.07  -0.04  -0.01
     3   6    -0.03   0.02  -0.03     0.01   0.02  -0.02     0.02  -0.00   0.01
     4   6    -0.04  -0.04   0.03    -0.05  -0.04  -0.01    -0.01  -0.01   0.00
     5   6     0.02   0.01  -0.01    -0.03   0.01   0.02     0.02   0.01  -0.02
     6   6     0.01   0.01  -0.03     0.02  -0.02   0.03    -0.00   0.01  -0.00
     7   6     0.00  -0.02   0.04    -0.01   0.01  -0.05    -0.02   0.03   0.01
     8   6    -0.03   0.03  -0.10    -0.02  -0.04   0.09     0.13   0.02   0.00
     9   6    -0.02  -0.01   0.05     0.04   0.03  -0.04    -0.07  -0.03  -0.00
    10   6     0.05  -0.01   0.04    -0.02   0.02  -0.03    -0.07  -0.03  -0.01
    11   6    -0.02   0.09  -0.03     0.02   0.12   0.11    -0.01   0.03   0.01
    12   6    -0.02  -0.02   0.01    -0.01   0.06   0.05    -0.00   0.00   0.01
    13   8     0.02  -0.02   0.02     0.02  -0.02   0.03     0.00  -0.01   0.01
    14   8     0.01   0.00   0.01    -0.01  -0.04  -0.07    -0.00  -0.01  -0.01
    15   1     0.08   0.02  -0.03     0.06  -0.01   0.02     0.08  -0.08   0.03
    16   1    -0.11  -0.03   0.00     0.10  -0.02  -0.11     0.07  -0.01  -0.03
    17   1     0.16  -0.07   0.03    -0.10  -0.03  -0.02     0.06  -0.02  -0.01
    18   1    -0.02  -0.00  -0.01     0.02   0.00   0.05     0.04  -0.04  -0.06
    19   1    -0.33  -0.03  -0.02     0.37   0.04   0.02    -0.18  -0.10   0.00
    20   1     0.36   0.08  -0.06    -0.26  -0.03   0.07    -0.25  -0.09  -0.01
    21   1    -0.05  -0.01  -0.16    -0.05  -0.18   0.10     0.27   0.47   0.17
    22   1    -0.01   0.01  -0.06    -0.04   0.02   0.18     0.12  -0.08  -0.29
    23   1     0.01   0.06   0.13    -0.07  -0.08  -0.14     0.15   0.06   0.02
    24   1     0.01   0.06   0.08    -0.03  -0.12  -0.16     0.05   0.13   0.23
    25   1     0.00  -0.16   0.04    -0.01   0.05  -0.00     0.01   0.28  -0.09
    26   1    -0.02  -0.15   0.06    -0.03   0.10  -0.05     0.14   0.10  -0.02
    27   1    -0.05   0.09  -0.09    -0.02   0.01   0.03     0.18  -0.26   0.15
    28   1    -0.17   0.37   0.01    -0.14   0.13   0.08    -0.08   0.08   0.01
    29   6     0.06  -0.08  -0.00     0.05  -0.08  -0.09     0.02  -0.02  -0.01
    30   1    -0.04  -0.04  -0.12     0.03   0.02   0.13    -0.00  -0.01  -0.00
    31   1     0.10   0.30   0.11     0.13   0.26   0.26     0.04   0.10   0.07
    32   1    -0.28  -0.21  -0.23    -0.31  -0.20  -0.08    -0.10  -0.07  -0.04
    33   1    -0.12   0.15   0.02    -0.32  -0.11  -0.15    -0.08   0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.2330              1161.7590              1203.1650
 Red. masses --      1.5544                 2.0634                 2.0141
 Frc consts  --      1.2032                 1.6409                 1.7178
 IR Inten    --     44.6007               147.7013                 2.7706
 RamAct Fr= 1--      0.9326                 1.4881                 8.2247
  Dep-P Fr= 1--      0.0230                 0.7019                 0.2440
  Dep-U Fr= 1--      0.0449                 0.8248                 0.3923
 Alpha2 Fr= 1--      0.0196                 0.0012                 0.0991
 Beta2  Fr= 1--      0.0070                 0.2046                 0.5377
 AlphaG Fr= 1--      0.0347                -0.0073                 0.0102
 Gamma2 Fr= 1--     -0.0596                -1.8436                 0.6781
 Delta2 Fr= 1--     -0.0574                -1.0224                -0.0820
 Raman1 Fr= 1--       3.730                  5.953                 32.899
 ROA1   Fr= 1--      -7.560               -209.705                 62.474
 CID1   Fr= 1--      -2.027                -35.229                  1.899
 Raman2 Fr= 1--       0.084                  2.455                  6.452
 ROA2   Fr= 1--      -0.972                -36.069                 16.931
 CID2   Fr= 1--     -11.597                -14.693                  2.624
 Raman3 Fr= 1--       0.168                  4.910                 12.905
 ROA3   Fr= 1--      -7.560               -209.705                 62.474
 CID3   Fr= 1--     -45.085                -42.712                  4.841
 RC180  Fr= 1--      -0.910                  0.650                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.02    -0.05   0.00   0.02    -0.02  -0.01   0.01
     2   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.07   0.03   0.02
     3   6     0.06  -0.01   0.01     0.05  -0.00  -0.00     0.03  -0.01   0.01
     4   6    -0.05   0.02  -0.03     0.05  -0.02  -0.01     0.03  -0.00  -0.00
     5   6    -0.06  -0.01   0.04    -0.04   0.01  -0.01     0.02   0.00  -0.02
     6   6     0.08  -0.01   0.01     0.03  -0.00  -0.01    -0.02   0.00  -0.01
     7   6     0.00  -0.02   0.05     0.00  -0.01   0.01    -0.00  -0.07  -0.02
     8   6    -0.00   0.02  -0.05    -0.00   0.01  -0.01    -0.08   0.17   0.08
     9   6    -0.02  -0.01   0.02    -0.00  -0.00   0.01     0.07  -0.10  -0.02
    10   6     0.02  -0.01   0.02     0.01  -0.00   0.00     0.07  -0.08  -0.07
    11   6    -0.01  -0.01  -0.01     0.03   0.03   0.12    -0.02   0.00  -0.00
    12   6     0.02   0.08   0.04    -0.02  -0.14  -0.09     0.00   0.01   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.02  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.01
    15   1    -0.39   0.09  -0.10    -0.30   0.06  -0.07     0.05  -0.01   0.05
    16   1     0.35   0.04  -0.20     0.24   0.01  -0.14     0.05  -0.00   0.00
    17   1    -0.34   0.07  -0.05    -0.36   0.07  -0.13     0.02   0.01  -0.03
    18   1     0.46   0.03  -0.26     0.18   0.02  -0.11     0.05   0.03  -0.05
    19   1    -0.15   0.04   0.00    -0.03   0.02   0.00     0.08   0.03  -0.02
    20   1     0.12  -0.03  -0.06     0.04  -0.01  -0.02     0.08   0.01   0.02
    21   1    -0.00   0.05  -0.10    -0.01   0.01  -0.03    -0.03   0.35   0.13
    22   1     0.01  -0.01  -0.05    -0.00   0.00  -0.01    -0.14   0.12  -0.20
    23   1     0.02   0.03   0.06     0.00   0.01   0.02    -0.10   0.11   0.34
    24   1     0.01   0.05   0.07     0.00   0.01   0.01     0.02   0.09  -0.39
    25   1     0.00  -0.06   0.01     0.00  -0.02   0.01     0.10  -0.19   0.34
    26   1    -0.00  -0.07   0.03    -0.00  -0.02   0.01    -0.16   0.29  -0.15
    27   1    -0.01   0.03  -0.03    -0.01   0.01  -0.00    -0.08  -0.05   0.25
    28   1     0.14  -0.18  -0.02    -0.20   0.25   0.13    -0.06   0.00  -0.01
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09     0.01  -0.00   0.01
    30   1     0.05   0.07   0.24    -0.10  -0.13  -0.45     0.00   0.01   0.02
    31   1     0.01   0.04  -0.00     0.02  -0.07   0.14     0.01   0.02   0.00
    32   1    -0.03  -0.04  -0.04     0.02   0.07   0.18    -0.02  -0.01  -0.01
    33   1     0.02   0.05   0.03    -0.17  -0.25  -0.17    -0.01   0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.3323              1223.5745              1236.6323
 Red. masses --      1.3015                 2.0250                 2.4786
 Frc consts  --      1.1289                 1.7862                 2.2332
 IR Inten    --      3.8660                 5.7782                 6.1439
 RamAct Fr= 1--     61.6443                43.6042                37.2081
  Dep-P Fr= 1--      0.1184                 0.1982                 0.1806
  Dep-U Fr= 1--      0.2117                 0.3308                 0.3059
 Alpha2 Fr= 1--      1.0315                 0.5950                 0.5317
 Beta2  Fr= 1--      2.1750                 2.4039                 1.8972
 AlphaG Fr= 1--     -0.4663                -0.0981                -0.1574
 Gamma2 Fr= 1--     -5.5033                -1.2220                 0.1571
 Delta2 Fr= 1--      0.8786                -0.2868                 0.2947
 Raman1 Fr= 1--     246.577                174.417                148.832
 ROA1   Fr= 1--    -500.197               -126.486                 24.506
 CID1   Fr= 1--      -2.029                 -0.725                  0.165
 Raman2 Fr= 1--      26.100                 28.847                 22.767
 ROA2   Fr= 1--    -139.107                -27.033                  1.412
 CID2   Fr= 1--      -5.330                 -0.937                  0.062
 Raman3 Fr= 1--      52.200                 57.693                 45.533
 ROA3   Fr= 1--    -500.197               -126.486                 24.506
 CID3   Fr= 1--      -9.582                 -2.192                  0.538
 RC180  Fr= 1--      -0.577                 -0.338                 -0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10   0.00   0.04     0.03  -0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.03
     3   6     0.01   0.01  -0.03     0.08  -0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.11   0.01   0.00     0.21  -0.03  -0.01     0.06  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.04   0.00  -0.03
     7   6    -0.02  -0.00   0.00     0.03   0.01  -0.01    -0.12   0.01   0.01
     8   6     0.00   0.02   0.01     0.00  -0.03  -0.01     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.05   0.00   0.00    -0.09  -0.00  -0.01     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.02   0.02    -0.01   0.00   0.01
    13   8    -0.00   0.01  -0.01     0.01  -0.01   0.02     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.00  -0.03    -0.00   0.00  -0.01
    15   1    -0.34   0.10  -0.17    -0.51   0.10  -0.11    -0.29   0.09  -0.13
    16   1     0.38   0.06  -0.30     0.24   0.02  -0.13    -0.31  -0.00   0.11
    17   1     0.52  -0.15   0.23     0.07   0.00  -0.03    -0.38   0.07  -0.06
    18   1    -0.29  -0.06   0.26    -0.42  -0.03   0.22    -0.24  -0.04   0.20
    19   1    -0.04   0.01  -0.00     0.04   0.00  -0.00    -0.42  -0.14  -0.02
    20   1    -0.05  -0.01   0.01     0.07   0.03   0.01    -0.28  -0.04   0.04
    21   1     0.00   0.03   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.08
    22   1    -0.01   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.02  -0.11
    23   1     0.00   0.01   0.03    -0.00  -0.02  -0.05     0.01   0.02   0.06
    24   1     0.00   0.02  -0.02    -0.01  -0.03   0.03     0.01   0.04  -0.08
    25   1     0.01  -0.01   0.03    -0.01   0.02  -0.04     0.02   0.05   0.07
    26   1    -0.00   0.03  -0.01     0.01  -0.03   0.02     0.01   0.09  -0.04
    27   1     0.00  -0.02   0.03     0.01   0.01  -0.03     0.02  -0.09   0.11
    28   1     0.24  -0.03   0.03    -0.48   0.05  -0.07    -0.18   0.03  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.02  -0.07     0.03   0.05   0.17     0.02   0.03   0.09
    31   1    -0.00  -0.03   0.02     0.01   0.05  -0.02    -0.02  -0.02  -0.04
    32   1     0.03   0.03   0.04    -0.07  -0.05  -0.06     0.01  -0.00  -0.03
    33   1     0.01  -0.04  -0.02    -0.01   0.09   0.05     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.6636              1280.6688              1309.6786
 Red. masses --      1.3864                 1.7431                 1.5941
 Frc consts  --      1.2654                 1.6844                 1.6110
 IR Inten    --      0.5742                 2.8847                 4.7985
 RamAct Fr= 1--      5.9276                 5.0907                 8.1640
  Dep-P Fr= 1--      0.7432                 0.5227                 0.4529
  Dep-U Fr= 1--      0.8527                 0.6866                 0.6234
 Alpha2 Fr= 1--      0.0007                 0.0225                 0.0495
 Beta2  Fr= 1--      0.8424                 0.5825                 0.8482
 AlphaG Fr= 1--      0.0173                 0.0087                -0.0639
 Gamma2 Fr= 1--      0.7426                 0.7897                -3.0200
 Delta2 Fr= 1--     -0.1199                -0.4181                 1.7410
 Raman1 Fr= 1--      23.710                 20.363                 32.656
 ROA1   Fr= 1--      67.451                 62.437               -234.204
 CID1   Fr= 1--       2.845                  3.066                 -7.172
 Raman2 Fr= 1--      10.109                  6.990                 10.179
 ROA2   Fr= 1--      18.781                 22.298                -86.408
 CID2   Fr= 1--       1.858                  3.190                 -8.489
 Raman3 Fr= 1--      20.217                 13.981                 20.358
 ROA3   Fr= 1--      67.451                 62.437               -234.204
 CID3   Fr= 1--       3.336                  4.466                -11.504
 RC180  Fr= 1--       0.705                  0.373                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.04     0.02  -0.01   0.03     0.03  -0.01   0.02
     2   6    -0.02  -0.02   0.08     0.01   0.00  -0.02    -0.00   0.00  -0.03
     3   6     0.02   0.00  -0.02    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.02  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.08
     5   6    -0.02   0.01  -0.02     0.03  -0.02   0.04     0.02  -0.01   0.02
     6   6     0.02   0.01  -0.03    -0.04   0.00   0.01    -0.03  -0.00   0.02
     7   6     0.00   0.02  -0.04    -0.00   0.00   0.00     0.02   0.01   0.01
     8   6     0.01  -0.04   0.09    -0.00  -0.00   0.01    -0.02  -0.02  -0.00
     9   6     0.05   0.02  -0.03     0.01   0.00  -0.00     0.01   0.00  -0.00
    10   6    -0.05   0.01  -0.02    -0.01   0.00  -0.00     0.00   0.01   0.00
    11   6     0.03  -0.00  -0.01    -0.14   0.06   0.04    -0.07  -0.06   0.00
    12   6    -0.01  -0.00   0.00     0.05   0.05   0.02     0.00  -0.10  -0.06
    13   8     0.00  -0.00   0.00    -0.02   0.01  -0.04     0.02   0.00   0.05
    14   8     0.00   0.00  -0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1    -0.07   0.02  -0.05    -0.22   0.05  -0.05    -0.13   0.02  -0.04
    16   1     0.03   0.01  -0.02    -0.23  -0.04   0.19    -0.12  -0.02   0.10
    17   1     0.07  -0.01   0.01     0.10  -0.04   0.06     0.11  -0.03   0.06
    18   1     0.16   0.03  -0.13     0.04   0.01  -0.05     0.08   0.00  -0.06
    19   1    -0.38  -0.31  -0.05    -0.16  -0.07  -0.01    -0.15  -0.07  -0.01
    20   1     0.46   0.31   0.08     0.10   0.05   0.01    -0.01  -0.02  -0.02
    21   1     0.05  -0.17   0.44     0.01  -0.04   0.11     0.02   0.06   0.09
    22   1    -0.02   0.02   0.11    -0.01   0.01   0.02    -0.01   0.01   0.03
    23   1    -0.06  -0.05  -0.08    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
    24   1    -0.02  -0.11  -0.16    -0.00  -0.02  -0.03    -0.00  -0.02  -0.04
    25   1    -0.01   0.18  -0.06    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
    26   1     0.04   0.08  -0.03     0.01   0.01  -0.00    -0.02  -0.02   0.00
    27   1     0.03  -0.07   0.05     0.01  -0.02   0.01    -0.01   0.01  -0.00
    28   1    -0.00   0.02  -0.01     0.51  -0.39   0.05     0.31   0.49   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.01   0.01   0.02    -0.10  -0.16  -0.43     0.10   0.21   0.57
    31   1    -0.02  -0.02  -0.02     0.06   0.11   0.06     0.07   0.02   0.15
    32   1     0.03   0.01  -0.01    -0.14  -0.07   0.01    -0.02   0.05   0.15
    33   1     0.03   0.00   0.01    -0.15   0.02  -0.03    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1309.8917              1349.7126              1366.3219
 Red. masses --      1.5336                 2.2388                 1.4489
 Frc consts  --      1.5504                 2.4029                 1.5937
 IR Inten    --      8.2508                 0.1937                 0.1345
 RamAct Fr= 1--     38.8076                 2.4681                 1.5572
  Dep-P Fr= 1--      0.2799                 0.5858                 0.5292
  Dep-U Fr= 1--      0.4374                 0.7388                 0.6922
 Alpha2 Fr= 1--      0.4223                 0.0076                 0.0067
 Beta2  Fr= 1--      2.8291                 0.3039                 0.1796
 AlphaG Fr= 1--     -0.1924                 0.0290                 0.0009
 Gamma2 Fr= 1--     -1.6912                 5.3532                 0.7391
 Delta2 Fr= 1--     -1.0254                 2.6857                 0.2455
 Raman1 Fr= 1--     155.231                  9.872                  6.229
 ROA1   Fr= 1--    -195.170                599.850                 78.813
 CID1   Fr= 1--      -1.257                 60.760                 12.653
 Raman2 Fr= 1--      33.949                  3.647                  2.156
 ROA2   Fr= 1--     -32.387                106.991                 15.775
 CID2   Fr= 1--      -0.954                 29.339                  7.318
 Raman3 Fr= 1--      67.898                  7.294                  4.311
 ROA3   Fr= 1--    -195.170                599.850                 78.813
 CID3   Fr= 1--      -2.874                 82.244                 18.280
 RC180  Fr= 1--      -0.125                  0.478                  0.384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.01    -0.09   0.02  -0.03    -0.08   0.02  -0.02
     2   6    -0.01  -0.03  -0.01     0.02  -0.07   0.17    -0.00   0.01  -0.02
     3   6     0.00   0.00  -0.00     0.11   0.01  -0.08     0.02  -0.00  -0.01
     4   6    -0.01  -0.01   0.02     0.03  -0.03   0.07     0.03  -0.04   0.10
     5   6    -0.00   0.00  -0.00    -0.12   0.03  -0.05    -0.01  -0.00   0.00
     6   6     0.01   0.01  -0.00     0.07   0.01  -0.06     0.07   0.01  -0.05
     7   6     0.10   0.08   0.02    -0.00   0.01  -0.04     0.00  -0.01   0.02
     8   6    -0.10  -0.09  -0.02     0.01  -0.03   0.07    -0.01   0.02  -0.05
     9   6     0.05   0.03   0.00    -0.03   0.01  -0.00     0.02  -0.01   0.01
    10   6     0.06   0.03   0.00     0.03  -0.00  -0.02    -0.01   0.00   0.01
    11   6     0.02   0.01  -0.00    -0.06  -0.02  -0.01    -0.08  -0.02  -0.02
    12   6    -0.00   0.02   0.01     0.01   0.00   0.00     0.01   0.02   0.01
    13   8    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.02  -0.03  -0.01    -0.15   0.03  -0.05     0.37  -0.10   0.15
    16   1     0.03   0.00  -0.03    -0.30  -0.04   0.22     0.23   0.03  -0.15
    17   1    -0.02   0.00  -0.01     0.30  -0.08   0.11    -0.29   0.08  -0.09
    18   1    -0.03  -0.03   0.01     0.11   0.02  -0.09    -0.36  -0.05   0.26
    19   1    -0.40  -0.26  -0.01     0.25   0.02   0.01    -0.02   0.04   0.00
    20   1    -0.43  -0.24  -0.09    -0.24  -0.04   0.05     0.01  -0.03  -0.02
    21   1     0.07   0.51   0.17    -0.06   0.19  -0.49     0.03  -0.10   0.25
    22   1    -0.05   0.06   0.12     0.06  -0.05  -0.05    -0.04   0.03   0.01
    23   1    -0.14  -0.06  -0.03     0.05  -0.02  -0.08    -0.03   0.01   0.05
    24   1    -0.02  -0.12  -0.13    -0.02  -0.01   0.06     0.01   0.01  -0.02
    25   1    -0.01  -0.18   0.02     0.03  -0.03   0.05    -0.02   0.01  -0.02
    26   1    -0.14  -0.08   0.00    -0.06   0.06  -0.04     0.04  -0.04   0.02
    27   1    -0.07   0.12  -0.04    -0.07   0.06   0.01     0.04  -0.03  -0.02
    28   1    -0.05  -0.07  -0.03     0.35   0.09   0.09     0.52   0.12   0.12
    29   6    -0.01  -0.00   0.01     0.02   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.02  -0.03  -0.09    -0.00   0.00   0.02    -0.01  -0.01  -0.02
    31   1    -0.01  -0.01  -0.03     0.02   0.01   0.02     0.04   0.02   0.07
    32   1     0.01  -0.01  -0.02    -0.03   0.01   0.04    -0.03   0.02   0.09
    33   1     0.02   0.01   0.02    -0.07  -0.02  -0.03    -0.06  -0.00  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3912              1388.1135              1392.4912
 Red. masses --      1.3962                 1.3599                 1.9815
 Frc consts  --      1.5562                 1.5439                 2.2638
 IR Inten    --      0.5239                10.5525                39.1550
 RamAct Fr= 1--      1.7448                11.4784                 6.5238
  Dep-P Fr= 1--      0.7493                 0.3586                 0.7429
  Dep-U Fr= 1--      0.8567                 0.5279                 0.8525
 Alpha2 Fr= 1--      0.0000                 0.0980                 0.0008
 Beta2  Fr= 1--      0.2491                 1.0098                 0.9269
 AlphaG Fr= 1--     -0.0018                -0.0166                -0.0104
 Gamma2 Fr= 1--      0.1428                -1.3902                 2.9618
 Delta2 Fr= 1--     -0.1468                -0.3338                -1.3936
 Raman1 Fr= 1--       6.979                 45.914                 26.095
 ROA1   Fr= 1--       9.010               -144.138                239.743
 CID1   Fr= 1--       1.291                 -3.139                  9.187
 Raman2 Fr= 1--       2.989                 12.118                 11.123
 ROA2   Fr= 1--       4.601                -30.694                 82.233
 CID2   Fr= 1--       1.539                 -2.533                  7.393
 Raman3 Fr= 1--       5.979                 24.236                 22.245
 ROA3   Fr= 1--       9.010               -144.138                239.743
 CID3   Fr= 1--       1.507                 -5.947                 10.777
 RC180  Fr= 1--       0.713                  0.056                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.02  -0.01   0.01     0.03  -0.01   0.01
     2   6     0.01  -0.02   0.05     0.04   0.01  -0.00    -0.01  -0.00   0.00
     3   6     0.04   0.00  -0.03    -0.01   0.00  -0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.02  -0.01
     5   6    -0.05   0.01  -0.02    -0.01  -0.00   0.01     0.02  -0.00  -0.01
     6   6     0.01  -0.00   0.00     0.01   0.00  -0.01    -0.04  -0.00   0.02
     7   6     0.00  -0.00   0.01    -0.12  -0.03   0.00     0.02   0.01  -0.00
     8   6    -0.02   0.05  -0.14    -0.00  -0.10  -0.04     0.00   0.02   0.01
     9   6     0.04  -0.03  -0.00     0.02   0.01  -0.02    -0.00  -0.00   0.00
    10   6    -0.03   0.02   0.03     0.03  -0.01   0.02    -0.01   0.00  -0.01
    11   6     0.01   0.00   0.01     0.00  -0.02  -0.00     0.02  -0.17  -0.03
    12   6    -0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.03   0.18   0.11
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.03
    14   8     0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.06  -0.01
    15   1    -0.14   0.04  -0.04    -0.06   0.02  -0.02    -0.11   0.03  -0.04
    16   1    -0.19  -0.02   0.14    -0.05   0.00   0.02    -0.01   0.01   0.00
    17   1     0.22  -0.06   0.08    -0.05   0.01  -0.00     0.02   0.02   0.00
    18   1     0.14   0.01  -0.09    -0.04   0.00   0.03     0.09   0.01  -0.08
    19   1     0.25   0.16   0.02     0.28   0.31   0.02    -0.03  -0.05  -0.00
    20   1    -0.25  -0.15  -0.03     0.30   0.27   0.13    -0.06  -0.04  -0.02
    21   1     0.08  -0.23   0.62     0.21   0.63   0.21    -0.03  -0.10  -0.04
    22   1    -0.13   0.07   0.12    -0.02  -0.02   0.16     0.00  -0.00  -0.02
    23   1    -0.07   0.07   0.18    -0.08   0.05   0.09     0.01  -0.00  -0.01
    24   1     0.06   0.07   0.02     0.03  -0.07   0.09    -0.00   0.01  -0.01
    25   1    -0.06  -0.07  -0.02     0.00   0.01  -0.11    -0.00  -0.02   0.03
    26   1     0.10  -0.17   0.07    -0.09   0.09  -0.02     0.02  -0.03   0.01
    27   1     0.15  -0.12   0.01    -0.05   0.09  -0.12     0.02  -0.03   0.04
    28   1    -0.09  -0.02  -0.02    -0.00   0.08   0.02    -0.06   0.73   0.18
    29   6    -0.00   0.00   0.01     0.00   0.01  -0.00     0.01   0.06  -0.02
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05    -0.08  -0.16  -0.40
    31   1    -0.01  -0.01  -0.03     0.00  -0.02   0.01     0.03  -0.17   0.10
    32   1     0.00  -0.01  -0.03    -0.00   0.00  -0.00    -0.06   0.03   0.01
    33   1    -0.00  -0.01   0.00     0.00  -0.03  -0.01     0.02  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.4429              1416.1171              1425.0873
 Red. masses --      1.2778                 1.2210                 1.2483
 Frc consts  --      1.4871                 1.4426                 1.4937
 IR Inten    --      8.5200                10.7377                 8.3353
 RamAct Fr= 1--      0.0230                 1.4513                 2.8252
  Dep-P Fr= 1--      0.7499                 0.5186                 0.5327
  Dep-U Fr= 1--      0.8571                 0.6830                 0.6951
 Alpha2 Fr= 1--      0.0000                 0.0066                 0.0119
 Beta2  Fr= 1--      0.0033                 0.1652                 0.3273
 AlphaG Fr= 1--      0.0000                 0.0002                -0.0048
 Gamma2 Fr= 1--      0.0647                -0.1890                 0.0183
 Delta2 Fr= 1--      0.0297                 0.1118                 0.0719
 Raman1 Fr= 1--       0.092                  5.805                 11.301
 ROA1   Fr= 1--       7.163                -14.568                  4.058
 CID1   Fr= 1--      77.844                 -2.510                  0.359
 Raman2 Fr= 1--       0.039                  1.982                  3.928
 ROA2   Fr= 1--       1.316                 -5.431                 -0.136
 CID2   Fr= 1--      33.362                 -2.740                 -0.035
 Raman3 Fr= 1--       0.079                  3.965                  7.855
 ROA3   Fr= 1--       7.163                -14.568                  4.058
 CID3   Fr= 1--      90.822                 -3.674                  0.517
 RC180  Fr= 1--       0.714                  0.366                  0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01  -0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.00  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.02  -0.00   0.00    -0.05   0.01  -0.02     0.01  -0.01   0.00
    16   1     0.03   0.01  -0.03    -0.04  -0.01   0.01     0.01   0.00  -0.00
    17   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    18   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    19   1    -0.05  -0.05  -0.01     0.02   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.02  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.02   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1    -0.09  -0.08   0.38    -0.00   0.00  -0.01    -0.16  -0.03   0.36
    23   1    -0.06   0.23   0.29     0.00  -0.01  -0.01    -0.06   0.22   0.30
    24   1     0.12   0.02   0.40    -0.00   0.00  -0.01     0.15   0.10   0.37
    25   1    -0.04  -0.28   0.30    -0.00   0.00  -0.01     0.08   0.33  -0.23
    26   1     0.10  -0.36   0.04    -0.00   0.01  -0.00    -0.10   0.36  -0.06
    27   1     0.17  -0.18   0.30    -0.00   0.00  -0.01    -0.23   0.20  -0.24
    28   1     0.03  -0.01   0.00    -0.02   0.05   0.01    -0.00   0.01   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00  -0.00
    30   1     0.00   0.00   0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    31   1     0.00   0.02   0.01     0.06   0.38   0.37     0.00  -0.00   0.00
    32   1     0.01   0.00   0.02     0.37   0.16   0.44    -0.00  -0.00   0.00
    33   1     0.01   0.02   0.00     0.31   0.47   0.12     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.8896              1489.3062              1489.9087
 Red. masses --      2.4729                 1.0407                 1.0977
 Frc consts  --      3.1095                 1.3600                 1.4357
 IR Inten    --      9.1165                 2.6528                 3.3687
 RamAct Fr= 1--      0.3467                 9.1271                13.8774
  Dep-P Fr= 1--      0.4929                 0.7500                 0.7205
  Dep-U Fr= 1--      0.6604                 0.8571                 0.8376
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0070
 Beta2  Fr= 1--      0.0382                 1.3038                 1.9372
 AlphaG Fr= 1--      0.0239                -0.0010                -0.0073
 Gamma2 Fr= 1--     -0.7936                -0.1342                -0.5192
 Delta2 Fr= 1--     -0.2813                -0.1527                 0.1859
 Raman1 Fr= 1--       1.387                 36.508                 55.510
 ROA1   Fr= 1--     -85.187                -17.769                -43.893
 CID1   Fr= 1--     -61.422                 -0.487                 -0.791
 Raman2 Fr= 1--       0.458                 15.646                 23.246
 ROA2   Fr= 1--     -16.795                 -2.000                -13.948
 CID2   Fr= 1--     -36.677                 -0.128                 -0.600
 Raman3 Fr= 1--       0.916                 31.292                 46.492
 ROA3   Fr= 1--     -85.187                -17.769                -43.893
 CID3   Fr= 1--     -93.014                 -0.568                 -0.944
 RC180  Fr= 1--       0.321                  0.714                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     3   6    -0.14   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14  -0.00  -0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.14   0.02  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00   0.00     0.06  -0.05  -0.03
     8   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01     0.04   0.01  -0.00    -0.01   0.01   0.01
    11   6    -0.04   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.02  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.29   0.12  -0.22     0.01   0.00   0.01     0.02  -0.00   0.01
    16   1     0.24   0.08  -0.30    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.32   0.13  -0.23     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.22   0.08  -0.29    -0.01  -0.01   0.01     0.02   0.00  -0.01
    19   1     0.21   0.04   0.01    -0.00   0.00  -0.00    -0.34   0.50  -0.20
    20   1    -0.21  -0.05   0.03    -0.00   0.00  -0.00    -0.25   0.22   0.54
    21   1     0.00  -0.01   0.03     0.01  -0.03   0.06    -0.02  -0.04  -0.01
    22   1    -0.04   0.03   0.00     0.17  -0.23   0.25     0.16  -0.13   0.03
    23   1     0.03  -0.02  -0.03     0.46   0.19   0.04     0.09   0.08   0.06
    24   1     0.01   0.07  -0.02    -0.06   0.14  -0.28    -0.06  -0.11  -0.09
    25   1    -0.02  -0.04  -0.06    -0.01   0.09  -0.31    -0.05  -0.15   0.01
    26   1    -0.04   0.03  -0.00    -0.46  -0.20  -0.01     0.08   0.11  -0.01
    27   1     0.04  -0.02  -0.03    -0.10  -0.01   0.37     0.14  -0.07  -0.14
    28   1     0.35  -0.08   0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.01   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.09   0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1871              1497.8501              1498.8889
 Red. masses --      1.0465                 1.0562                 1.0551
 Frc consts  --      1.3729                 1.3962                 1.3967
 IR Inten    --      4.7295                 0.2316                 8.4952
 RamAct Fr= 1--      6.2104                 0.8024                 5.2297
  Dep-P Fr= 1--      0.6249                 0.7332                 0.6403
  Dep-U Fr= 1--      0.7692                 0.8461                 0.7807
 Alpha2 Fr= 1--      0.0142                 0.0002                 0.0104
 Beta2  Fr= 1--      0.7961                 0.1132                 0.6805
 AlphaG Fr= 1--      0.0105                -0.0054                 0.0764
 Gamma2 Fr= 1--     -0.7425                 0.8802                 0.3566
 Delta2 Fr= 1--     -1.2965                 0.6433                 1.2277
 Raman1 Fr= 1--      24.841                  3.210                 20.919
 ROA1   Fr= 1--    -112.769                105.083                 73.516
 CID1   Fr= 1--      -4.540                 32.739                  3.514
 Raman2 Fr= 1--       9.554                  1.358                  8.166
 ROA2   Fr= 1--      -7.449                 15.978                 -1.264
 CID2   Fr= 1--      -0.780                 11.767                 -0.155
 Raman3 Fr= 1--      19.108                  2.716                 16.332
 ROA3   Fr= 1--    -112.769                105.083                 73.516
 CID3   Fr= 1--      -5.902                 38.694                  4.501
 RC180  Fr= 1--       0.538                  0.692                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.01   0.03    -0.00   0.00  -0.01
     9   6    -0.00   0.00  -0.00     0.00  -0.04   0.00    -0.00   0.01  -0.00
    10   6     0.00   0.00   0.00     0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00   0.00    -0.01   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.00     0.02  -0.00   0.01    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.01
    19   1    -0.00   0.00   0.00    -0.04  -0.03  -0.00     0.01   0.01  -0.00
    20   1    -0.00   0.00   0.00     0.04   0.03   0.00    -0.02  -0.00   0.01
    21   1     0.00   0.00   0.00    -0.01   0.03  -0.07     0.00  -0.00   0.01
    22   1     0.01  -0.00   0.00    -0.34   0.21   0.09     0.06  -0.04  -0.01
    23   1     0.00   0.00   0.00     0.14  -0.12  -0.21    -0.02   0.02   0.03
    24   1    -0.00  -0.00  -0.00     0.13   0.46   0.00    -0.02  -0.07  -0.00
    25   1    -0.00  -0.00  -0.00    -0.16  -0.36  -0.28     0.03   0.06   0.05
    26   1    -0.00   0.00  -0.00    -0.17   0.22  -0.04     0.03  -0.04   0.01
    27   1     0.00  -0.00  -0.00     0.34  -0.19  -0.14    -0.05   0.03   0.02
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.00  -0.03    -0.00   0.01  -0.00    -0.02   0.03  -0.02
    30   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.02  -0.47  -0.10     0.01  -0.06   0.09     0.08  -0.33   0.56
    32   1    -0.47  -0.07   0.52    -0.05  -0.02  -0.03    -0.32  -0.11  -0.20
    33   1    -0.16   0.49   0.07     0.10  -0.02   0.01     0.61  -0.12   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.7614              1512.7155              1551.9124
 Red. masses --      1.0507                 1.0555                 2.4269
 Frc consts  --      1.4092                 1.4231                 3.4438
 IR Inten    --     11.7928                10.7917                22.8198
 RamAct Fr= 1--      0.9438                 3.3811                 0.3964
  Dep-P Fr= 1--      0.5983                 0.6885                 0.7456
  Dep-U Fr= 1--      0.7487                 0.8155                 0.8543
 Alpha2 Fr= 1--      0.0027                 0.0036                 0.0000
 Beta2  Fr= 1--      0.1178                 0.4596                 0.0564
 AlphaG Fr= 1--      0.0032                -0.0002                -0.0005
 Gamma2 Fr= 1--      0.0997                 0.0841                 0.4360
 Delta2 Fr= 1--      0.0615                 0.1793                 0.1972
 Raman1 Fr= 1--       3.775                 13.524                  1.585
 ROA1   Fr= 1--      11.533                 13.808                 48.161
 CID1   Fr= 1--       3.055                  1.021                 30.376
 Raman2 Fr= 1--       1.413                  5.515                  0.677
 ROA2   Fr= 1--       1.900                  0.583                  8.886
 CID2   Fr= 1--       1.344                  0.106                 13.121
 Raman3 Fr= 1--       2.827                 11.030                  1.354
 ROA3   Fr= 1--      11.533                 13.808                 48.161
 CID3   Fr= 1--       4.080                  1.252                 35.559
 RC180  Fr= 1--       0.497                  0.631                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.00   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.00  -0.01     0.44  -0.09   0.10
    16   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.42   0.03  -0.25
    17   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.42  -0.09   0.10
    18   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.22
    19   1    -0.12   0.23  -0.08    -0.03   0.07  -0.02    -0.04   0.03  -0.00
    20   1    -0.08   0.11   0.23    -0.02   0.03   0.07    -0.04   0.01   0.03
    21   1     0.02  -0.05  -0.02     0.02   0.07   0.03     0.01   0.05   0.02
    22   1    -0.29   0.29  -0.18    -0.19   0.06   0.22    -0.02   0.02   0.01
    23   1    -0.29  -0.23  -0.15     0.36  -0.02  -0.18    -0.00  -0.01  -0.02
    24   1     0.10   0.12   0.22     0.06   0.45  -0.18     0.01   0.02   0.00
    25   1     0.06   0.23  -0.10     0.13   0.23   0.41     0.01   0.02   0.01
    26   1    -0.27  -0.29   0.02     0.38  -0.10   0.04    -0.00  -0.02   0.00
    27   1    -0.22   0.07   0.38    -0.23   0.18  -0.08    -0.02   0.01   0.01
    28   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.02   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.05   0.01  -0.04
    33   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.04  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.5510              1658.1575              1805.9216
 Red. masses --      5.9930                 5.7764                 9.5445
 Frc consts  --      9.2387                 9.3574                18.3401
 IR Inten    --      0.1196                 0.8116               271.8030
 RamAct Fr= 1--      1.8311               168.1489                22.2669
  Dep-P Fr= 1--      0.7032                 0.4568                 0.1806
  Dep-U Fr= 1--      0.8257                 0.6271                 0.3060
 Alpha2 Fr= 1--      0.0015                 1.0026                 0.3182
 Beta2  Fr= 1--      0.2520                17.5757                 1.1357
 AlphaG Fr= 1--     -0.0418                -0.7690                -0.7572
 Gamma2 Fr= 1--      0.0988                -7.9278                -4.3089
 Delta2 Fr= 1--     -0.0976                -0.8729                 1.0408
 Raman1 Fr= 1--       7.324                672.596                 89.068
 ROA1   Fr= 1--       6.357               -789.002               -380.345
 CID1   Fr= 1--       0.868                 -1.173                 -4.270
 Raman2 Fr= 1--       3.024                210.908                 13.628
 ROA2   Fr= 1--       3.151               -183.284               -111.739
 CID2   Fr= 1--       1.042                 -0.869                 -8.199
 Raman3 Fr= 1--       6.048                421.817                 27.256
 ROA3   Fr= 1--       6.357               -789.002               -380.345
 CID3   Fr= 1--       1.051                 -1.870                -13.955
 RC180  Fr= 1--       0.651                  0.254                 -0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.08   0.17     0.30  -0.05   0.03    -0.01   0.00  -0.00
     2   6    -0.03   0.12  -0.32    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.07   0.06  -0.20    -0.27  -0.00   0.11     0.01  -0.00   0.00
     4   6     0.05  -0.12   0.32     0.19  -0.02  -0.02    -0.02   0.00  -0.00
     5   6    -0.12   0.08  -0.18    -0.28   0.05  -0.03     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.27   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.33   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.18  -0.38
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.29   0.03   0.04    -0.31   0.11  -0.19     0.02  -0.00   0.00
    16   1    -0.30   0.02   0.05     0.26   0.07  -0.29     0.02  -0.02  -0.01
    17   1     0.31  -0.03  -0.04     0.29  -0.11   0.17    -0.02   0.01  -0.01
    18   1     0.31  -0.02  -0.06    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.21  -0.02  -0.01     0.02   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01     0.00   0.00   0.00
    22   1    -0.02   0.01  -0.00     0.01  -0.00  -0.01     0.00  -0.00   0.00
    23   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    24   1     0.01   0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    27   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    28   1     0.28  -0.05   0.01    -0.02   0.01   0.00    -0.10   0.21   0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.01     0.10   0.16   0.43
    31   1     0.00  -0.02   0.02     0.00   0.02   0.02     0.02  -0.04   0.01
    32   1    -0.02  -0.00  -0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00  -0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7917              3025.9174              3027.4211
 Red. masses --      1.0816                 1.0346                 1.0481
 Frc consts  --      5.7461                 5.5812                 5.6600
 IR Inten    --     21.6556                34.6655                41.7976
 RamAct Fr= 1--    146.9269                15.1188                59.1481
  Dep-P Fr= 1--      0.4527                 0.6813                 0.6036
  Dep-U Fr= 1--      0.6233                 0.8104                 0.7528
 Alpha2 Fr= 1--      0.8908                 0.0183                 0.1600
 Beta2  Fr= 1--     15.2629                 2.0421                 7.4211
 AlphaG Fr= 1--     -0.0112                -0.0012                -0.0809
 Gamma2 Fr= 1--      0.3857                -1.2851                 3.1731
 Delta2 Fr= 1--     -1.4348                 1.1890                -0.3183
 Raman1 Fr= 1--     587.708                 60.475                236.593
 ROA1   Fr= 1--      -8.888                -85.320                294.431
 CID1   Fr= 1--      -0.015                 -1.411                  1.244
 Raman2 Fr= 1--     183.154                 24.505                 89.053
 ROA2   Fr= 1--      20.734                -40.353                 78.700
 CID2   Fr= 1--       0.113                 -1.647                  0.884
 Raman3 Fr= 1--     366.309                 49.011                178.106
 ROA3   Fr= 1--      -8.888                -85.320                294.431
 CID3   Fr= 1--      -0.024                 -1.741                  1.653
 RC180  Fr= 1--       0.247                  0.621                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.02    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00   0.00   0.04    -0.00  -0.00  -0.02
    10   6     0.01   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.02   0.02
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.03   0.03   0.18     0.01  -0.01  -0.03    -0.09   0.09   0.47
    20   1    -0.07   0.14  -0.10     0.02  -0.04   0.03    -0.17   0.37  -0.27
    21   1     0.91  -0.20  -0.19     0.01  -0.00  -0.00    -0.15   0.03   0.03
    22   1    -0.03  -0.04  -0.01    -0.26  -0.34  -0.09     0.14   0.18   0.05
    23   1    -0.01   0.04  -0.03    -0.14   0.38  -0.26     0.08  -0.22   0.15
    24   1    -0.08   0.02   0.02     0.39  -0.10  -0.09    -0.18   0.05   0.04
    25   1    -0.08   0.02   0.01    -0.33   0.09   0.07    -0.26   0.07   0.05
    26   1    -0.00   0.01   0.05     0.04  -0.09  -0.38     0.04  -0.08  -0.37
    27   1    -0.03  -0.04  -0.02     0.21   0.28   0.09     0.19   0.25   0.08
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9260              3047.3602              3063.7286
 Red. masses --      1.0480                 1.0356                 1.1040
 Frc consts  --      5.6801                 5.6660                 6.1052
 IR Inten    --     18.8853                25.6057                18.0449
 RamAct Fr= 1--    563.5001               239.8852                58.1406
  Dep-P Fr= 1--      0.0122                 0.0676                 0.7500
  Dep-U Fr= 1--      0.0242                 0.1266                 0.8571
 Alpha2 Fr= 1--     12.1689                 4.5431                 0.0000
 Beta2  Fr= 1--      2.2711                 5.0634                 8.3058
 AlphaG Fr= 1--      0.2884                -0.3667                -0.0005
 Gamma2 Fr= 1--      0.2187                 0.9857                 0.8177
 Delta2 Fr= 1--     -0.4138                 3.8053                 1.4541
 Raman1 Fr= 1--    2254.000                959.541                232.563
 ROA1   Fr= 1--       7.752                216.393                125.027
 CID1   Fr= 1--       0.003                  0.226                  0.538
 Raman2 Fr= 1--      27.253                 60.761                 99.670
 ROA2   Fr= 1--       8.559                 -6.787                  7.991
 CID2   Fr= 1--       0.314                 -0.112                  0.080
 Raman3 Fr= 1--      54.506                121.522                199.339
 ROA3   Fr= 1--       7.752                216.393                125.027
 CID3   Fr= 1--       0.142                  1.781                  0.627
 RC180  Fr= 1--      -0.952                 -0.747                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    19   1    -0.08   0.08   0.45    -0.00   0.00   0.00    -0.13   0.14   0.68
    20   1    -0.17   0.36  -0.26    -0.00   0.00  -0.00     0.25  -0.54   0.37
    21   1    -0.18   0.04   0.04    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.16  -0.20  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    23   1    -0.08   0.23  -0.16    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    24   1     0.28  -0.07  -0.07     0.00  -0.00  -0.00    -0.03   0.01   0.01
    25   1     0.30  -0.08  -0.06     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    26   1    -0.03   0.07   0.31    -0.00   0.00   0.00     0.00  -0.01  -0.05
    27   1    -0.17  -0.22  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.01   0.00   0.00     0.66  -0.05  -0.14     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.19   0.54  -0.09    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.07  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4542              3085.7601              3088.3106
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0212                 6.1823                 6.1860
 IR Inten    --      6.7738                15.1656                50.6078
 RamAct Fr= 1--     68.4290                40.4072               141.6743
  Dep-P Fr= 1--      0.2000                 0.7491                 0.6957
  Dep-U Fr= 1--      0.3333                 0.8566                 0.8205
 Alpha2 Fr= 1--      0.9294                 0.0006                 0.1345
 Beta2  Fr= 1--      3.8010                 5.7687                19.3749
 AlphaG Fr= 1--      0.0403                 0.0606                -0.1231
 Gamma2 Fr= 1--     -0.8899                -0.6176                -4.1821
 Delta2 Fr= 1--     -3.8564                 0.8911                -4.8626
 Raman1 Fr= 1--     273.716                161.629                566.697
 ROA1   Fr= 1--    -208.840                -30.776               -557.081
 CID1   Fr= 1--      -0.763                 -0.190                 -0.983
 Raman2 Fr= 1--      45.612                 69.224                232.498
 ROA2   Fr= 1--       9.493                -21.952                -61.469
 CID2   Fr= 1--       0.208                 -0.317                 -0.264
 Raman3 Fr= 1--      91.223                138.448                464.997
 ROA3   Fr= 1--    -208.840                -30.776               -557.081
 CID3   Fr= 1--      -2.289                 -0.222                 -1.198
 RC180  Fr= 1--      -0.333                  0.713                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.01   0.07  -0.01     0.00  -0.06   0.01
    10   6     0.00   0.00   0.00    -0.02  -0.04  -0.04    -0.01  -0.04  -0.05
    11   6     0.01   0.02  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01   0.01   0.06    -0.00   0.01   0.02
    20   1     0.00  -0.00   0.00     0.02  -0.05   0.03    -0.00   0.01  -0.01
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    22   1     0.00   0.00   0.00    -0.32  -0.41  -0.12     0.26   0.32   0.10
    23   1     0.00  -0.00   0.00     0.15  -0.41   0.29    -0.14   0.37  -0.27
    24   1    -0.00   0.00   0.00     0.06   0.00  -0.02    -0.14   0.02   0.04
    25   1    -0.00   0.00   0.00    -0.03  -0.00  -0.00    -0.10   0.02   0.00
    26   1     0.00  -0.00  -0.00    -0.05   0.08   0.44    -0.06   0.10   0.52
    27   1    -0.00  -0.00  -0.00     0.28   0.36   0.10     0.31   0.40   0.11
    28   1    -0.17  -0.22   0.94    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.04  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1     0.03   0.04  -0.15     0.00   0.00  -0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.7159              3096.8921              3111.0142
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2046                 6.2203                 6.2857
 IR Inten    --      7.4794                76.2276                26.7324
 RamAct Fr= 1--     12.6282                62.7346               121.8961
  Dep-P Fr= 1--      0.7389                 0.4658                 0.6705
  Dep-U Fr= 1--      0.8498                 0.6355                 0.8028
 Alpha2 Fr= 1--      0.0024                 0.3605                 0.1718
 Beta2  Fr= 1--      1.7886                 6.6448                16.3094
 AlphaG Fr= 1--     -0.0616                -0.0254                 0.0987
 Gamma2 Fr= 1--      4.8550                -2.3051                 0.9289
 Delta2 Fr= 1--      1.2675                 1.2102                -5.2715
 Raman1 Fr= 1--      50.513                250.938                487.584
 ROA1   Fr= 1--     506.641               -182.565                -79.518
 CID1   Fr= 1--      10.030                 -0.728                 -0.163
 Raman2 Fr= 1--      21.463                 79.737                195.712
 ROA2   Fr= 1--     106.381                -65.004                 64.465
 CID2   Fr= 1--       4.956                 -0.815                  0.329
 Raman3 Fr= 1--      42.927                159.474                391.425
 ROA3   Fr= 1--     506.641               -182.565                -79.518
 CID3   Fr= 1--      11.802                 -1.145                 -0.203
 RC180  Fr= 1--       0.700                  0.271                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.07   0.01  -0.00    -0.06   0.00  -0.00     0.00   0.00   0.00
    10   6     0.06  -0.00  -0.02    -0.06  -0.01   0.02     0.00   0.00   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.00   0.01   0.03     0.00  -0.00  -0.02    -0.00   0.00   0.00
    20   1     0.01  -0.02   0.02     0.01  -0.01   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.00  -0.00     0.16  -0.04  -0.03    -0.00   0.00   0.00
    22   1     0.18   0.26   0.07     0.19   0.27   0.08    -0.00  -0.00  -0.00
    23   1     0.05  -0.19   0.13     0.04  -0.14   0.09     0.00   0.00  -0.00
    24   1     0.58  -0.15  -0.15     0.51  -0.13  -0.14    -0.00   0.00   0.00
    25   1    -0.54   0.15   0.10     0.57  -0.16  -0.10    -0.00   0.00   0.00
    26   1    -0.01   0.05   0.25     0.01  -0.04  -0.19     0.00   0.00  -0.00
    27   1    -0.14  -0.20  -0.06     0.20   0.28   0.09    -0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.03  -0.14
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.20  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.9190              3161.7150              3167.3220
 Red. masses --      1.1014                 1.0868                 1.0871
 Frc consts  --      6.3569                 6.4007                 6.4257
 IR Inten    --     12.6711                11.0810                 8.4638
 RamAct Fr= 1--     29.9289                52.7004                55.2122
  Dep-P Fr= 1--      0.6679                 0.7269                 0.6412
  Dep-U Fr= 1--      0.8009                 0.8419                 0.7814
 Alpha2 Fr= 1--      0.0437                 0.0208                 0.1085
 Beta2  Fr= 1--      3.9948                 7.3946                 7.1901
 AlphaG Fr= 1--      0.0794                -0.0498                -0.1324
 Gamma2 Fr= 1--     -1.6526                 0.9372                -2.7198
 Delta2 Fr= 1--      2.6029                 0.0534                 1.2866
 Raman1 Fr= 1--     119.716                210.801                220.849
 ROA1   Fr= 1--     -75.361                 91.684               -219.928
 CID1   Fr= 1--      -0.629                  0.435                 -0.996
 Raman2 Fr= 1--      47.938                 88.735                 86.281
 ROA2   Fr= 1--     -60.486                 22.066                -75.568
 CID2   Fr= 1--      -1.262                  0.249                 -0.876
 Raman3 Fr= 1--      95.876                177.470                172.563
 ROA3   Fr= 1--     -75.361                 91.684               -219.928
 CID3   Fr= 1--      -0.786                  0.517                 -1.274
 RC180  Fr= 1--       0.602                  0.684                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.06
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.03
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.02   0.02  -0.06    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.33  -0.22   0.75
    16   1    -0.02   0.01  -0.03    -0.02   0.01  -0.03    -0.30   0.18  -0.38
    17   1     0.01   0.01  -0.02    -0.30  -0.21   0.68     0.01   0.00  -0.02
    18   1     0.00  -0.00   0.00    -0.36   0.22  -0.46     0.05  -0.03   0.06
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    24   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    27   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    28   1    -0.02  -0.03   0.15    -0.01  -0.01   0.02     0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    32   1     0.15  -0.42   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82    -0.00  -0.00   0.01     0.00   0.01  -0.03
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7823              3185.4868              3723.6485
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5106                 6.5389                 8.6917
 IR Inten    --     18.1419                 3.4109                62.4765
 RamAct Fr= 1--    100.4300               140.1258               149.8791
  Dep-P Fr= 1--      0.1460                 0.1312                 0.2567
  Dep-U Fr= 1--      0.2548                 0.2320                 0.4086
 Alpha2 Fr= 1--      1.5684                 2.2712                 1.7431
 Beta2  Fr= 1--      4.2646                 5.4177                10.2058
 AlphaG Fr= 1--      0.5153                -0.5209                -0.3538
 Gamma2 Fr= 1--      4.1629                -0.4997                -6.9944
 Delta2 Fr= 1--      0.8323                -0.6836                -0.0067
 Raman1 Fr= 1--     401.720                560.503                599.516
 ROA1   Fr= 1--     426.267                -69.843               -671.677
 CID1   Fr= 1--       1.061                 -0.125                 -1.120
 Raman2 Fr= 1--      51.175                 65.013                122.470
 ROA2   Fr= 1--      93.250                 -6.524               -167.812
 CID2   Fr= 1--       1.822                 -0.100                 -1.370
 Raman3 Fr= 1--     102.351                130.025                244.940
 ROA3   Fr= 1--     426.267                -69.843               -671.677
 CID3   Fr= 1--       4.165                 -0.537                 -2.742
 RC180  Fr= 1--      -0.490                 -0.536                 -0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.01    -0.04   0.03  -0.05     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.02   0.01  -0.05    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.04   0.02  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1    -0.02  -0.01   0.05    -0.20  -0.14   0.46    -0.00  -0.00   0.00
    16   1     0.10  -0.06   0.13     0.48  -0.29   0.61     0.00   0.00  -0.00
    17   1    -0.25  -0.17   0.55     0.04   0.03  -0.09     0.00   0.00  -0.00
    18   1     0.44  -0.27   0.55    -0.08   0.05  -0.10    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.25   0.94  -0.22
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1525.328776240.173296479.96984
           X            0.99977   0.02139   0.00198
           Y           -0.02134   0.99956  -0.02054
           Z           -0.00242   0.02049   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05678     0.01388     0.01337
 Rotational constants (GHZ):           1.18318     0.28921     0.27851
 Zero-point vibrational energy     747039.7 (Joules/Mol)
                                  178.54677 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.48    53.94    69.11    83.01   130.92
          (Kelvin)            164.09   225.10   288.66   322.11   356.53
                              369.81   387.20   405.64   493.15   507.58
                              560.85   585.21   604.84   613.86   683.65
                              808.32   826.72   901.69   926.14   958.21
                             1018.95  1092.44  1130.24  1184.04  1197.46
                             1231.73  1234.10  1251.71  1295.97  1356.42
                             1379.47  1395.71  1401.09  1413.01  1460.01
                             1506.19  1559.36  1575.43  1587.85  1597.86
                             1649.17  1671.51  1731.09  1745.71  1760.45
                             1779.24  1790.79  1842.60  1884.34  1884.64
                             1941.94  1965.83  1978.88  1997.19  2003.48
                             2022.12  2037.48  2050.38  2101.89  2142.78
                             2143.65  2146.92  2155.07  2156.57  2170.77
                             2176.46  2232.86  2327.30  2385.72  2598.32
                             4320.35  4353.62  4355.78  4363.70  4384.47
                             4408.02  4417.70  4439.72  4443.39  4448.29
                             4455.74  4476.06  4503.26  4549.00  4557.07
                             4573.56  4583.21  5357.50
 
 Zero-point correction=                           0.284532 (Hartree/Particle)
 Thermal correction to Energy=                    0.300060
 Thermal correction to Enthalpy=                  0.301004
 Thermal correction to Gibbs Free Energy=         0.240320
 Sum of electronic and zero-point Energies=           -656.739078
 Sum of electronic and thermal Energies=              -656.723551
 Sum of electronic and thermal Enthalpies=            -656.722607
 Sum of electronic and thermal Free Energies=         -656.783291
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.290             58.557            127.720
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.489
 Vibrational            186.513             52.596             53.357
 Vibration     1          0.593              1.985              6.218
 Vibration     2          0.594              1.982              5.388
 Vibration     3          0.595              1.978              4.897
 Vibration     4          0.596              1.974              4.534
 Vibration     5          0.602              1.956              3.639
 Vibration     6          0.607              1.938              3.199
 Vibration     7          0.620              1.895              2.592
 Vibration     8          0.638              1.839              2.127
 Vibration     9          0.649              1.805              1.927
 Vibration    10          0.661              1.766              1.746
 Vibration    11          0.667              1.751              1.682
 Vibration    12          0.674              1.730              1.602
 Vibration    13          0.681              1.707              1.522
 Vibration    14          0.722              1.590              1.199
 Vibration    15          0.729              1.570              1.154
 Vibration    16          0.758              1.492              1.001
 Vibration    17          0.772              1.456              0.938
 Vibration    18          0.783              1.426              0.891
 Vibration    19          0.788              1.412              0.870
 Vibration    20          0.832              1.305              0.723
 Vibration    21          0.918              1.114              0.520
 Vibration    22          0.931              1.086              0.495
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288683-110       -110.539579       -254.526787
 Total V=0       0.216829D+21         20.336117         46.825640
 Vib (Bot)       0.882757-125       -125.054159       -287.947842
 Vib (Bot)    1  0.839749D+01          0.924149          2.127933
 Vib (Bot)    2  0.551996D+01          0.741936          1.708371
 Vib (Bot)    3  0.430461D+01          0.633934          1.459686
 Vib (Bot)    4  0.357998D+01          0.553881          1.275357
 Vib (Bot)    5  0.225915D+01          0.353945          0.814989
 Vib (Bot)    6  0.179428D+01          0.253889          0.584601
 Vib (Bot)    7  0.129357D+01          0.111791          0.257409
 Vib (Bot)    8  0.993612D+00         -0.002783         -0.006409
 Vib (Bot)    9  0.882076D+00         -0.054494         -0.125477
 Vib (Bot)   10  0.788433D+00         -0.103235         -0.237708
 Vib (Bot)   11  0.756781D+00         -0.121030         -0.278681
 Vib (Bot)   12  0.718444D+00         -0.143607         -0.330667
 Vib (Bot)   13  0.681236D+00         -0.166702         -0.383847
 Vib (Bot)   14  0.540797D+00         -0.266966         -0.614712
 Vib (Bot)   15  0.522029D+00         -0.282305         -0.650031
 Vib (Bot)   16  0.460623D+00         -0.336655         -0.775176
 Vib (Bot)   17  0.436028D+00         -0.360486         -0.830049
 Vib (Bot)   18  0.417564D+00         -0.379277         -0.873317
 Vib (Bot)   19  0.409451D+00         -0.387798         -0.892938
 Vib (Bot)   20  0.353436D+00         -0.451689         -1.040053
 Vib (Bot)   21  0.276158D+00         -0.558842         -1.286782
 Vib (Bot)   22  0.266627D+00         -0.574095         -1.321903
 Vib (V=0)       0.663036D+06          5.821537         13.404585
 Vib (V=0)    1  0.891236D+01          0.949993          2.187439
 Vib (V=0)    2  0.604256D+01          0.781221          1.798828
 Vib (V=0)    3  0.483355D+01          0.684266          1.575581
 Vib (V=0)    4  0.411473D+01          0.614341          1.414573
 Vib (V=0)    5  0.281382D+01          0.449296          1.034543
 Vib (V=0)    6  0.236264D+01          0.373397          0.859779
 Vib (V=0)    7  0.188684D+01          0.275736          0.634905
 Vib (V=0)    8  0.161232D+01          0.207452          0.477677
 Vib (V=0)    9  0.151393D+01          0.180106          0.414710
 Vib (V=0)   10  0.143361D+01          0.156431          0.360195
 Vib (V=0)   11  0.140704D+01          0.148306          0.341487
 Vib (V=0)   12  0.137531D+01          0.138400          0.318677
 Vib (V=0)   13  0.134503D+01          0.128733          0.296419
 Vib (V=0)   14  0.123652D+01          0.092201          0.212301
 Vib (V=0)   15  0.122285D+01          0.087374          0.201186
 Vib (V=0)   16  0.117983D+01          0.071821          0.165373
 Vib (V=0)   17  0.116342D+01          0.065735          0.151360
 Vib (V=0)   18  0.115143D+01          0.061237          0.141004
 Vib (V=0)   19  0.114626D+01          0.059283          0.136503
 Vib (V=0)   20  0.111230D+01          0.046224          0.106434
 Vib (V=0)   21  0.107119D+01          0.029868          0.068774
 Vib (V=0)   22  0.106665D+01          0.028021          0.064521
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.281133D+07          6.448912         14.849169
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655444433322222211     
     2        87663199887643220                           051510999986210987651184321064109841877540755328506427672209548654205195432
     4        59720172860473763                           688239982091565285600015743326145475240931086236986475257070332978416418875
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X XXXXXXXXXXXXXXXXXX XXXXXXXXXXX XXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXXX                    
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                                         
     X              X                                     X                           X                                              
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002700   -0.000000405    0.000001092
      2        6           0.000001237    0.000003018   -0.000005361
      3        6           0.000000234   -0.000000515    0.000000826
      4        6          -0.000015854   -0.000002116    0.000005902
      5        6           0.000007750   -0.000004050   -0.000000903
      6        6          -0.000006593    0.000000545    0.000003350
      7        6          -0.000006712    0.000006523    0.000004967
      8        6          -0.000004530    0.000001275    0.000001615
      9        6           0.000004080   -0.000004027   -0.000012761
     10        6           0.000004161   -0.000010994    0.000003978
     11        6           0.000029668    0.000004342   -0.000000610
     12        6          -0.000007416    0.000002545    0.000004038
     13        8           0.000001254   -0.000000520   -0.000003365
     14        8           0.000000324   -0.000006314   -0.000004531
     15        1           0.000000299   -0.000002215    0.000000615
     16        1          -0.000000765    0.000000864    0.000001066
     17        1          -0.000000937    0.000003315   -0.000000179
     18        1           0.000000372    0.000001211   -0.000001255
     19        1           0.000001962   -0.000003538   -0.000000475
     20        1           0.000002378   -0.000003105   -0.000001875
     21        1           0.000004131    0.000004194    0.000001038
     22        1          -0.000001097    0.000001730    0.000000018
     23        1          -0.000001506    0.000000662    0.000000570
     24        1          -0.000001499    0.000003211    0.000004080
     25        1          -0.000001511    0.000003334   -0.000002528
     26        1          -0.000001485   -0.000001268   -0.000001264
     27        1          -0.000001114    0.000001344   -0.000000962
     28        1          -0.000005019    0.000000639    0.000003479
     29        6           0.000002628   -0.000006374   -0.000006008
     30        1          -0.000001168    0.000005075   -0.000001348
     31        1          -0.000003043   -0.000000872    0.000000886
     32        1          -0.000001601    0.000000940    0.000003482
     33        1          -0.000001327    0.000001549    0.000002424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029668 RMS     0.000004878
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.214286D+03 -0.144921D+01  0.161435D+01
      2  -0.144921D+01  0.138388D+03 -0.775976D+01
      3   0.161435D+01 -0.775976D+01  0.153589D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.108664D+02 -0.812680D+01  0.227369D+02
      2   0.307183D+01 -0.843177D+01  0.483308D+02
      3  -0.120467D+03 -0.306117D+02  0.153665D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.153886D+03  0.508214D+02 -0.255018D+02
      2  -0.887173D+02 -0.269698D+02  0.366756D+02
      3  -0.651685D+02 -0.238516D+02 -0.111738D+02
      4  -0.287718D+02  0.628528D+02 -0.178585D+02
      5  -0.279810D+02 -0.248750D+02  0.107766D+03
      6   0.560510D+00  0.221189D+02 -0.280836D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128056D+02  0.428093D+00  0.668736D+00  0.619117D+01  0.227972D+01
      2   0.428093D+00  0.104810D+01 -0.157623D+00  0.227972D+01  0.182840D+01
      3   0.668736D+00 -0.157623D+00  0.120122D+01 -0.517882D+00 -0.274581D+01
                 6             7             8             9            10 
      1  -0.517882D+00 -0.104170D+02  0.448698D+00 -0.376569D+00  0.335631D+02
      2  -0.274581D+01  0.448698D+00 -0.125855D+01 -0.967311D+00  0.167450D+01
      3  -0.231478D+01 -0.376569D+00 -0.967311D+00 -0.173230D+01 -0.158652D+01
                11            12            13            14            15 
      1   0.167450D+01 -0.158652D+01 -0.300415D+00  0.407385D+01  0.126911D+01
      2   0.182332D+01 -0.803501D+00  0.407385D+01 -0.123133D+01 -0.157212D+00
      3  -0.803501D+00  0.285864D+01  0.126911D+01 -0.157212D+00 -0.884062D+00
                16            17            18            19            20 
      1  -0.492179D+01  0.139842D+01  0.137743D+01  0.100670D+02 -0.588302D+00
      2   0.139842D+01 -0.272086D-01 -0.104490D+01 -0.588302D+00 -0.912013D+00
      3   0.137743D+01 -0.104490D+01 -0.429314D+00 -0.627415D+00 -0.356068D+00
                21            22            23            24            25 
      1  -0.627415D+00  0.444417D+01 -0.168776D+01 -0.116247D+01 -0.149860D+02
      2  -0.356068D+00 -0.168776D+01  0.259740D+01 -0.213275D+01  0.313014D+00
      3  -0.289738D+01 -0.116247D+01 -0.213275D+01 -0.969543D+00  0.529899D+00
                26            27            28            29            30 
      1   0.313014D+00  0.529899D+00 -0.313821D+02  0.221908D+00  0.126752D+01
      2  -0.797139D+00 -0.845271D+00  0.221908D+00 -0.148746D+01  0.218566D+00
      3  -0.845271D+00 -0.136246D+01  0.126752D+01  0.218566D+00 -0.262255D+01
                31            32            33            34            35 
      1   0.290804D+01 -0.497922D+01 -0.155068D+01  0.329094D+01 -0.152890D+01
      2  -0.497922D+01  0.856888D+00  0.458830D+00 -0.152890D+01 -0.720372D-01
      3  -0.155068D+01  0.458830D+00  0.681646D-01 -0.822253D+00 -0.698391D+00
                36            37            38            39            40 
      1  -0.822253D+00  0.150774D+02 -0.893843D+00 -0.122635D+01 -0.445320D+01
      2  -0.698391D+00 -0.893843D+00 -0.197244D+01  0.132374D+01 -0.189890D+01
      3   0.831019D+00 -0.122635D+01  0.132374D+01 -0.159461D+01 -0.136842D-01
                41            42            43            44            45 
      1  -0.189890D+01 -0.136842D-01  0.122610D+02 -0.217042D+01  0.449736D+00
      2  -0.253175D+01  0.236361D+01 -0.217042D+01  0.138238D+01  0.132510D+01
      3   0.236361D+01  0.220113D+01  0.449736D+00  0.132510D+01  0.147339D+01
                46            47            48            49            50 
      1  -0.114137D+02  0.925266D+00  0.101667D+01 -0.237502D+01  0.153574D+01
      2   0.925266D+00  0.127118D+01 -0.585685D+00  0.153574D+01 -0.365268D+01
      3   0.101667D+01 -0.585685D+00  0.308816D+01  0.202613D+01  0.207533D+01
                51            52            53            54            55 
      1   0.202613D+01  0.148208D+02  0.138877D+01 -0.927918D+00 -0.172535D+02
      2   0.207533D+01  0.138877D+01 -0.145366D+00  0.143424D+01 -0.302866D+01
      3   0.861392D+00 -0.927918D+00  0.143424D+01  0.783096D+00 -0.345699D+00
                56            57            58            59            60 
      1  -0.302866D+01 -0.345699D+00 -0.788982D+01 -0.727624D+01 -0.348398D+00
      2  -0.391315D+01  0.204154D-01 -0.727624D+01  0.597880D+00 -0.204593D+01
      3   0.204154D-01 -0.155368D+01 -0.348398D+00 -0.204593D+01  0.178920D+01
                61            62            63            64            65 
      1  -0.170472D+01 -0.592437D+00 -0.322138D+01 -0.367629D+01  0.460131D+01
      2  -0.592437D+00 -0.268978D+01  0.287037D+01  0.460131D+01  0.301586D+01
      3  -0.322138D+01  0.287037D+01  0.494742D+01  0.254431D+01 -0.291554D+00
                66            67            68            69            70 
      1   0.254431D+01  0.147015D+02  0.534391D+01 -0.117095D+00  0.614458D+01
      2  -0.291554D+00  0.534391D+01  0.162153D+01  0.333883D+01  0.764187D+00
      3   0.568429D+00 -0.117095D+00  0.333883D+01 -0.248668D+01  0.520853D-01
                71            72            73            74            75 
      1   0.764187D+00  0.520853D-01  0.258227D+01 -0.348395D+01 -0.260029D+01
      2   0.343010D+01 -0.224220D+01 -0.348395D+01 -0.340743D+01 -0.829985D-01
      3  -0.224220D+01 -0.434034D+01 -0.260029D+01 -0.829985D-01 -0.138672D+01
                76            77            78            79            80 
      1  -0.543932D+01 -0.457753D+01 -0.143399D+00 -0.303859D+01  0.153792D+00
      2  -0.457753D+01 -0.987016D+00 -0.447455D+01  0.153792D+00 -0.327102D+01
      3  -0.143399D+00 -0.447455D+01  0.264719D+01 -0.307648D+00  0.231094D+01
                81            82            83            84            85 
      1  -0.307648D+00  0.294503D+01 -0.396034D+01 -0.149475D+01 -0.577695D+01
      2   0.231094D+01 -0.396034D+01 -0.377881D+01  0.303414D+00 -0.385545D+01
      3   0.245178D+01 -0.149475D+01  0.303414D+00 -0.809396D+00 -0.149450D+00
                86            87            88            89            90 
      1  -0.385545D+01 -0.149450D+00 -0.227453D+01 -0.917351D+00 -0.585910D+00
      2  -0.255863D+01 -0.248446D+01 -0.917351D+00 -0.324940D+01  0.170793D+01
      3  -0.248446D+01  0.275046D+01 -0.585910D+00  0.170793D+01  0.628166D+01
                91            92            93            94            95 
      1   0.646050D+01  0.258944D+01  0.339494D+00 -0.153294D+01  0.647035D+01
      2   0.258944D+01  0.188189D+01  0.106889D+01  0.647035D+01 -0.423717D+01
      3   0.339494D+00  0.106889D+01  0.140707D+01  0.201469D+01 -0.335863D+00
                96            97            98            99           100 
      1   0.201469D+01  0.377314D+01  0.196995D+01  0.192699D+01  0.360625D+01
      2  -0.335863D+00  0.196995D+01  0.180217D+01  0.198903D+01 -0.239451D+01
      3   0.141017D+01  0.192699D+01  0.198903D+01 -0.440645D+01  0.163479D+01
               101           102           103           104           105 
      1  -0.239451D+01  0.163479D+01 -0.282300D+01 -0.600077D+00 -0.143057D+01
      2   0.682962D+00 -0.974444D+00 -0.600077D+00  0.393984D+01  0.291793D+00
      3  -0.974444D+00  0.377808D+00 -0.143057D+01  0.291793D+00 -0.205483D+01
               106           107           108           109           110 
      1   0.365142D+01 -0.320587D+01  0.128814D+01 -0.599663D+01  0.246213D+01
      2  -0.320587D+01  0.266117D+01 -0.258883D+01  0.246213D+01 -0.172663D+01
      3   0.128814D+01 -0.258883D+01  0.277317D+01 -0.346615D+01  0.731068D+00
               111           112           113           114           115 
      1  -0.346615D+01  0.410788D+01 -0.275902D+01  0.129505D+01 -0.971205D+01
      2   0.731068D+00 -0.275902D+01  0.279108D+01 -0.224710D+01  0.381686D+01
      3  -0.183000D+01  0.129505D+01 -0.224710D+01  0.219846D+01 -0.315833D+01
               116           117           118           119           120 
      1   0.381686D+01 -0.315833D+01  0.985829D+00  0.604860D-01  0.119843D+01
      2  -0.491794D+01  0.215698D+01  0.604860D-01  0.210691D+01  0.506983D+00
      3   0.215698D+01 -0.733621D+01  0.119843D+01  0.506983D+00  0.295432D+00
               121           122           123           124           125 
      1   0.967181D+00  0.204526D+01  0.204889D+00  0.436744D+01 -0.141935D+01
      2   0.204526D+01 -0.685486D+01  0.446846D+00 -0.141935D+01  0.266113D+01
      3   0.204889D+00  0.446846D+00  0.305473D+00 -0.107062D+01  0.266854D+01
               126           127           128           129           130 
      1  -0.107062D+01  0.190245D+01  0.638296D+00 -0.190005D+01  0.208336D+00
      2   0.266854D+01  0.638296D+00  0.263452D+00 -0.340591D+00  0.169036D+00
      3   0.468670D+01 -0.190005D+01 -0.340591D+00  0.196704D+01 -0.590987D+00
               131           132           133           134           135 
      1   0.169036D+00 -0.590987D+00 -0.227208D+01 -0.917868D+00  0.269523D+01
      2   0.374016D+00 -0.622816D+00 -0.917868D+00 -0.114924D+01  0.157107D+01
      3  -0.622816D+00  0.207158D+01  0.269523D+01  0.157107D+01 -0.716742D+01
               136           137           138           139           140 
      1  -0.352873D+01  0.106030D+01 -0.184888D+01  0.163069D+01 -0.615478D+00
      2   0.106030D+01 -0.744385D+00  0.637128D+00 -0.615478D+00  0.652846D+00
      3  -0.184888D+01  0.637128D+00 -0.175681D+01  0.114938D+01 -0.664947D+00
               141           142           143           144           145 
      1   0.114938D+01 -0.223970D+01  0.919810D+00 -0.245756D+01 -0.200400D+01
      2  -0.664947D+00  0.919810D+00 -0.121756D+01  0.146106D+01 -0.661478D+00
      3   0.174339D+01 -0.245756D+01  0.146106D+01 -0.445387D+01  0.206713D+01
               146           147           148           149           150 
      1  -0.661478D+00  0.206713D+01 -0.382069D+00 -0.208993D+00  0.668289D+00
      2  -0.331195D+00  0.647549D+00 -0.208993D+00 -0.665447D+00  0.918188D+00
      3   0.647549D+00 -0.225752D+01  0.668289D+00  0.918188D+00 -0.238223D+01
               151           152           153           154           155 
      1   0.199936D+01  0.104709D+01 -0.268548D+01  0.345542D+01 -0.114137D+01
      2   0.104709D+01  0.162897D+01 -0.249804D+01 -0.114137D+01  0.100080D+01
      3  -0.268548D+01 -0.249804D+01  0.750084D+01  0.245335D+01 -0.110532D+01
               156           157           158           159           160 
      1   0.245335D+01 -0.224077D+01  0.888096D+00 -0.144020D+01  0.246147D+01
      2  -0.110532D+01  0.888096D+00 -0.102577D+01  0.102287D+01 -0.128551D+01
      3   0.214546D+01 -0.144020D+01  0.102287D+01 -0.204016D+01  0.282520D+01
               161           162           163           164           165 
      1  -0.128551D+01  0.282520D+01  0.178971D+01 -0.366553D+00 -0.168305D+01
      2   0.176923D+01 -0.218158D+01 -0.366553D+00  0.902239D+00  0.447658D+00
      3  -0.218158D+01  0.475048D+01 -0.168305D+01  0.447658D+00  0.134754D+01
               166           167           168           169           170 
      1   0.140722D+01  0.152821D+01  0.482532D+00 -0.487591D+01  0.740594D+00
      2   0.152821D+01 -0.114306D+01 -0.126238D+01  0.740594D+00 -0.184698D+01
      3   0.482532D+00 -0.126238D+01 -0.134064D+01  0.308140D+01 -0.255512D+01
               171           172           173           174           175 
      1   0.308140D+01  0.369014D+01 -0.188441D+01  0.104366D+01 -0.274212D+01
      2  -0.255512D+01 -0.188441D+01  0.239692D+01 -0.372190D+00  0.334791D+01
      3  -0.680989D+01  0.104366D+01 -0.372190D+00  0.675201D+00 -0.547350D+00
               176           177           178           179           180 
      1   0.334791D+01 -0.547350D+00  0.477298D+01 -0.935671D+00  0.116649D+01
      2  -0.568450D+01  0.140992D+01 -0.935671D+00  0.273297D+01 -0.157389D+01
      3   0.140992D+01 -0.109664D+01  0.116649D+01 -0.157389D+01  0.887123D+00
               181           182           183           184           185 
      1   0.136082D+02 -0.155876D+01 -0.176957D+01 -0.369917D+01  0.115387D+01
      2  -0.155876D+01  0.120459D+01  0.227660D+00  0.115387D+01 -0.105901D+01
      3  -0.176957D+01  0.227660D+00  0.148306D+01  0.171851D+00 -0.723023D+00
               186           187           188           189           190 
      1   0.171851D+00 -0.261107D+01 -0.587241D-02  0.202767D+01  0.438591D+01
      2  -0.723023D+00 -0.587241D-02 -0.802567D+00  0.615116D-01  0.315459D+01
      3  -0.113171D+00  0.202767D+01  0.615116D-01 -0.343809D+00  0.229008D+01
               191           192           193           194           195 
      1   0.315459D+01  0.229008D+01  0.396715D+01  0.388401D+01  0.196555D+01
      2   0.289646D+01  0.129055D+01  0.388401D+01  0.500654D+01  0.262481D+01
      3   0.129055D+01  0.190546D+01  0.196555D+01  0.262481D+01  0.211524D+01
               196           197           198           199           200 
      1   0.125662D+01  0.917885D+00  0.157913D+01  0.135048D+01 -0.723885D+00
      2   0.917885D+00  0.134516D+01  0.121994D+01 -0.723885D+00  0.132343D+01
      3   0.157913D+01  0.121994D+01  0.132539D+01  0.160170D+01 -0.673800D+00
               201           202           203           204           205 
      1   0.160170D+01 -0.149137D+01  0.136983D+01 -0.130585D+01  0.156973D+01
      2  -0.673800D+00  0.136983D+01 -0.350994D+01  0.266723D+01 -0.700364D+00
      3   0.152840D+01 -0.130585D+01  0.266723D+01 -0.359866D+01  0.153233D+01
               206           207           208           209           210 
      1  -0.700364D+00  0.153233D+01 -0.655715D+01  0.436409D+00  0.725056D+00
      2   0.209364D+01 -0.215189D+01  0.436409D+00 -0.122321D+01 -0.787285D+00
      3  -0.215189D+01  0.381780D+01  0.725056D+00 -0.787285D+00 -0.199781D+01
               211           212           213           214           215 
      1   0.793754D+00 -0.539530D+00 -0.541234D+00  0.102241D+01 -0.309554D+00
      2  -0.539530D+00  0.917654D+00  0.903806D+00 -0.309554D+00  0.684507D+00
      3  -0.541234D+00  0.903806D+00  0.455282D+00 -0.832424D+00  0.186672D+00
               216           217           218           219           220 
      1  -0.832424D+00 -0.656300D+01  0.653088D+00  0.706637D+00  0.998900D+00
      2   0.186672D+00  0.653088D+00 -0.222109D+01  0.345960D+00 -0.105683D+01
      3   0.115122D+01  0.706637D+00  0.345960D+00 -0.107506D+01  0.134989D+00
               221           222           223           224           225 
      1  -0.105683D+01  0.134989D+00  0.972309D+00 -0.425477D-01 -0.520671D+00
      2   0.156425D+01  0.184148D+00 -0.425477D-01  0.746084D+00  0.151235D+00
      3   0.184148D+00  0.165644D+00 -0.520671D+00  0.151235D+00 -0.356837D+00
               226           227           228           229           230 
      1   0.315947D+00  0.415430D+00 -0.111233D+01  0.326034D-02  0.358586D+00
      2   0.415430D+00  0.568725D+00 -0.943352D-01  0.358586D+00 -0.805284D-01
      3  -0.111233D+01 -0.943352D-01  0.961879D+00  0.442520D-01 -0.666661D+00
               231           232           233           234           235 
      1   0.442520D-01 -0.148436D+01 -0.327081D+00  0.129139D+01  0.385542D+01
      2  -0.666661D+00 -0.327081D+00 -0.130363D+01  0.472406D+00  0.376364D+01
      3  -0.112740D+01  0.129139D+01  0.472406D+00 -0.898257D+01 -0.444551D-02
               236           237           238           239           240 
      1   0.376364D+01 -0.444551D-02  0.350143D+01  0.441471D+01 -0.135671D+00
      2   0.415682D+01 -0.229452D+00  0.441471D+01  0.734300D+01 -0.262159D-01
      3  -0.229452D+00  0.958451D+00 -0.135671D+00 -0.262159D-01  0.701487D+00
               241           242           243           244           245 
      1   0.107726D+01  0.802058D+00  0.838182D+00  0.361594D+00 -0.939474D+00
      2   0.802058D+00  0.164752D+01  0.707732D+00 -0.939474D+00 -0.446285D+00
      3   0.838182D+00  0.707732D+00 -0.153274D+00  0.135667D+01  0.956287D-01
               246           247           248           249           250 
      1   0.135667D+01 -0.132556D+01 -0.964543D+00  0.199490D+00  0.251306D+01
      2   0.956287D-01 -0.964543D+00 -0.598381D+00  0.112997D+01  0.273196D+00
      3  -0.115112D+01  0.199490D+00  0.112997D+01 -0.124796D+01 -0.194514D+01
               251           252           253           254           255 
      1   0.273196D+00 -0.194514D+01  0.855842D+01 -0.491845D+00 -0.182563D+01
      2   0.151279D+01 -0.113599D+01 -0.491845D+00 -0.357114D+01 -0.802705D+00
      3  -0.113599D+01  0.611688D+01 -0.182563D+01 -0.802705D+00 -0.106392D+01
               256           257           258           259           260 
      1  -0.556550D+01 -0.375254D+01 -0.128839D+01 -0.696861D+01 -0.169564D+01
      2  -0.375254D+01  0.426858D+01 -0.120382D+01 -0.169564D+01 -0.247637D+01
      3  -0.128839D+01 -0.120382D+01 -0.179891D+01 -0.151418D+01 -0.138581D+01
               261           262           263           264           265 
      1  -0.151418D+01 -0.951856D+00  0.150842D+01  0.544802D+00  0.152742D+01
      2  -0.138581D+01  0.150842D+01 -0.205558D+01 -0.531094D+00 -0.303293D+01
      3   0.383288D+01  0.544802D+00 -0.531094D+00 -0.427680D+00 -0.652095D+00
               266           267           268           269           270 
      1  -0.303293D+01 -0.652095D+00 -0.232822D+00  0.537445D+00 -0.220161D+00
      2   0.104457D+02  0.220045D+01  0.537445D+00 -0.144869D+01  0.610805D+00
      3   0.220045D+01  0.182290D+01 -0.220161D+00  0.610805D+00  0.606156D+00
               271           272           273           274           275 
      1  -0.158745D+02 -0.198609D+01  0.280448D+00  0.854855D+00 -0.110985D+01
      2  -0.198609D+01 -0.137517D+01 -0.134196D+00 -0.110985D+01 -0.513017D+00
      3   0.280448D+00 -0.134196D+00 -0.102816D+01  0.126370D+00  0.224653D+00
               276           277           278           279           280 
      1   0.126370D+00  0.264090D+01  0.534309D+00 -0.124253D+01 -0.703080D-01
      2   0.224653D+00  0.534309D+00  0.652881D+00 -0.891350D-02 -0.782004D+00
      3   0.264965D+00 -0.124253D+01 -0.891350D-02  0.589921D-01  0.309652D+00
               281           282           283           284           285 
      1  -0.782004D+00  0.309652D+00 -0.142402D+01 -0.271025D+00 -0.210171D-01
      2   0.214575D+01  0.261710D+00 -0.271025D+00 -0.856467D+01 -0.228999D-01
      3   0.261710D+00  0.396600D+00 -0.210171D-01 -0.228999D-01 -0.857199D+00
               286           287           288           289           290 
      1   0.106221D+01  0.355373D+00  0.372540D-01 -0.483669D+00  0.292180D+00
      2   0.355373D+00  0.126777D+01 -0.778323D+00  0.292180D+00  0.476590D+00
      3   0.372540D-01 -0.778323D+00 -0.127504D+00 -0.558013D+00  0.195924D+00
               291           292           293           294           295 
      1  -0.558013D+00  0.124833D+01  0.322818D+00  0.203848D+00 -0.191837D+01
      2   0.195924D+00  0.322818D+00  0.921883D-01 -0.444845D+00 -0.327029D+00
      3   0.286563D+00  0.203848D+00 -0.444845D+00  0.740749D+00 -0.809792D+00
               296           297 
      1  -0.327029D+00 -0.809792D+00
      2  -0.134500D+01 -0.249105D+00
      3  -0.249105D+00 -0.627376D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.303783D+01 -0.232187D+01  0.188550D+01 -0.802962D+01 -0.221480D+01
      2   0.415659D+01 -0.247458D+01  0.927580D+01 -0.286884D+01  0.253400D+01
      3   0.220641D+02 -0.183021D+01  0.293416D+01  0.654699D+01 -0.211084D+01
                 6             7             8             9            10 
      1  -0.228861D+01 -0.484733D+00  0.184454D+01 -0.367608D-02 -0.479701D+01
      2  -0.350530D+01 -0.390887D+01 -0.103187D+01  0.262636D+01 -0.218794D+00
      3   0.267635D+01  0.165792D+02  0.159077D+00  0.250815D+01 -0.417321D+02
                11            12            13            14            15 
      1  -0.526328D+00  0.110363D+01  0.279441D+01  0.421399D+01 -0.913012D+01
      2   0.941015D+00 -0.283528D+01  0.573862D+01  0.413193D-01  0.216568D+00
      3  -0.174197D+01  0.122962D+01  0.109790D+02 -0.171237D+01 -0.773518D+00
                16            17            18            19            20 
      1  -0.437079D+01 -0.164404D+01 -0.458485D+01 -0.105337D+01  0.130308D+01
      2  -0.252493D+02 -0.181549D+01 -0.331671D+01 -0.521859D+01 -0.209867D+01
      3   0.923607D+00 -0.149396D+01 -0.545532D+00 -0.142722D+02 -0.133080D+01
                21            22            23            24            25 
      1  -0.150764D+01  0.584164D+01 -0.222318D+01 -0.345631D+01  0.585999D+01
      2   0.374797D+01 -0.437048D+01 -0.245126D+01  0.965462D+00 -0.757981D+00
      3   0.300494D+01  0.769001D+01  0.157255D+01 -0.247047D+01  0.219535D+02
                26            27            28            29            30 
      1   0.103547D+01 -0.190626D+01  0.299307D+01  0.832910D+00 -0.343158D+01
      2   0.494003D+00 -0.237565D+01  0.451182D-01  0.260906D+01 -0.404758D+01
      3  -0.135349D+01 -0.477591D+01  0.347715D+02  0.512078D-01 -0.337073D+01
                31            32            33            34            35 
      1  -0.185664D+01  0.462412D+01 -0.870165D+01 -0.639094D+01 -0.413662D+00
      2   0.634179D+01 -0.612502D+00  0.254360D+01 -0.278243D+02  0.406089D+01
      3   0.817877D+01  0.545991D+01  0.100766D+01 -0.814236D+01 -0.214937D+01
                36            37            38            39            40 
      1  -0.298022D+01 -0.429249D+01 -0.125809D+00 -0.116421D+01 -0.514872D+01
      2   0.343153D-01  0.215535D+00 -0.276309D+01  0.805108D+01 -0.445214D+01
      3   0.275578D+01 -0.180042D+02  0.126122D+00  0.310299D+01  0.151567D+02
                41            42            43            44            45 
      1   0.190498D+01  0.112174D+01 -0.243504D+01  0.362229D+01  0.247256D+01
      2   0.196947D+01 -0.243940D+01 -0.596131D+01 -0.999219D+00  0.202240D+01
      3   0.725470D-01  0.212842D+01 -0.128255D+02  0.478927D+01  0.147087D+01
                46            47            48            49            50 
      1   0.340139D+01  0.108494D+01  0.308123D+01  0.100274D+02  0.142146D+01
      2  -0.203184D+01 -0.213830D+01  0.371955D+01 -0.418031D+01 -0.191227D+01
      3   0.177561D+02 -0.230495D+01 -0.102758D+01  0.134110D+02  0.138255D+01
                51            52            53            54            55 
      1  -0.233159D+01  0.230019D+01  0.325345D+01  0.342113D-01  0.252984D+01
      2   0.103506D+01 -0.280788D+01  0.758716D+00 -0.605506D+00 -0.795612D+01
      3  -0.536233D+01 -0.154923D+02 -0.181180D+01 -0.139861D+01  0.291033D+02
                56            57            58            59            60 
      1   0.174055D+01 -0.657561D-01  0.438244D+01 -0.321087D+01  0.284320D+01
      2  -0.781652D+00 -0.278735D+01 -0.463922D+01 -0.124176D+02  0.817352D+01
      3   0.133643D+02 -0.457678D-01  0.433675D+02  0.865387D+01  0.813327D+01
                61            62            63            64            65 
      1  -0.347320D+00  0.800942D+01  0.451915D+01 -0.222412D+01 -0.578546D-01
      2  -0.208767D+02  0.952252D+01  0.166013D+02  0.127530D+02 -0.213229D+00
      3   0.404222D+01  0.108872D+02 -0.515567D+01 -0.305978D+02 -0.163836D+02
                66            67            68            69            70 
      1  -0.813697D+00 -0.375869D+01 -0.245397D+01 -0.287928D+01  0.268839D+01
      2   0.591335D+01  0.525861D+01  0.160499D+02 -0.115944D+02 -0.147034D+01
      3   0.186476D+01 -0.301041D+02 -0.853725D+01 -0.136116D+02 -0.683038D+01
                71            72            73            74            75 
      1   0.520373D+01  0.196508D+01 -0.191980D+01 -0.631161D+01  0.719605D+00
      2  -0.967140D+01 -0.180015D+02 -0.187179D+02  0.527200D+01  0.336270D+01
      3  -0.149137D+02  0.734604D+01  0.184280D+02  0.973659D+01 -0.253925D+01
                76            77            78            79            80 
      1  -0.929702D+01  0.192103D+01 -0.142004D+02  0.495508D+00 -0.693739D+01
      2   0.645197D+01 -0.112047D+02  0.114778D+02  0.344059D+01  0.972253D+01
      3   0.185845D+02  0.135585D+01  0.174139D+02 -0.262731D+01  0.130548D+02
                81            82            83            84            85 
      1   0.295721D+01  0.634121D+01  0.410079D+01  0.145168D+01  0.592463D+01
      2   0.119155D+02 -0.247113D+00 -0.375333D+01 -0.228564D+01 -0.697796D+01
      3  -0.937777D+01  0.257290D+02  0.417064D+01 -0.252234D+01  0.800857D+01
                86            87            88            89            90 
      1   0.916158D+01 -0.461503D+01  0.318325D+01  0.332917D+01 -0.162936D+02
      2  -0.140529D+02  0.108046D+02 -0.579097D+01  0.653441D+01  0.216865D+02
      3   0.172381D+01  0.101622D+02  0.731668D+00  0.116259D+02 -0.659773D+01
                91            92            93            94            95 
      1   0.118996D+00  0.343733D+00  0.219856D+01  0.246149D+01 -0.204393D+01
      2  -0.484174D+01 -0.386468D+01 -0.601828D-01 -0.430243D+01 -0.202533D+01
      3  -0.407175D+01  0.160610D+00  0.348126D+01  0.363910D+02 -0.193169D+02
                96            97            98            99           100 
      1  -0.336721D+01  0.291151D+01  0.517596D+01 -0.143303D+01 -0.608754D+00
      2  -0.663924D+01 -0.163672D+02 -0.655584D+01  0.157135D+02  0.259265D+01
      3  -0.234904D+01  0.288505D+01  0.398938D+01  0.515039D+01  0.125198D+02
               101           102           103           104           105 
      1  -0.570638D+01 -0.555106D+01  0.539189D+00 -0.117171D+00  0.301809D+01
      2   0.372607D+01  0.501985D+01  0.199716D+01  0.120746D+01  0.138625D+02
      3  -0.126901D+02 -0.564181D+01 -0.604649D+01  0.489368D+01  0.319588D+01
               106           107           108           109           110 
      1  -0.778325D+01  0.177171D+00 -0.413598D+01  0.440859D+01  0.281547D+01
      2  -0.423660D+01  0.104859D+02 -0.165860D+02  0.834847D+01 -0.261051D+01
      3  -0.142723D+02  0.165676D+02 -0.646229D+01 -0.345715D+00 -0.522890D+01
               111           112           113           114           115 
      1   0.422651D+01 -0.813356D+00  0.861386D-01 -0.726159D+01  0.487555D+01
      2   0.861645D+01 -0.326425D+00  0.719192D+01 -0.107900D+02  0.393321D+01
      3   0.735074D+00 -0.600646D+01  0.124031D+02 -0.756918D+01  0.159313D+02
               116           117           118           119           120 
      1   0.484203D+01  0.118063D+02 -0.382258D+01  0.275564D+01  0.202059D+00
      2  -0.653105D+01  0.291170D+02 -0.523628D+01 -0.132141D+01 -0.467195D-01
      3  -0.211047D+02  0.587560D+01 -0.173485D+01  0.663508D+01  0.445601D+01
               121           122           123           124           125 
      1   0.405731D+00 -0.559600D+01 -0.282371D+01 -0.226583D+01  0.759277D+01
      2  -0.286182D+01 -0.322679D+01 -0.196803D+01 -0.127939D+01 -0.781171D+01
      3   0.698127D+01 -0.179063D+02  0.178018D+01 -0.297319D+01  0.791077D+01
               126           127           128           129           130 
      1  -0.677428D+01 -0.233269D+01 -0.202842D+01  0.113829D+01 -0.445012D+00
      2  -0.146519D+02  0.456195D+01  0.126273D+01 -0.129475D+01  0.376925D+00
      3   0.846885D+01 -0.441987D+00 -0.884147D+00  0.824511D+00  0.721758D+00
               131           132           133           134           135 
      1  -0.137373D+01  0.271893D-01  0.339618D+01  0.540810D+01 -0.545043D+01
      2  -0.445774D-01  0.431637D+00 -0.508545D+01 -0.665899D+00 -0.194838D+01
      3  -0.368798D+00  0.292382D+00  0.107596D+01  0.217531D+01 -0.171446D+01
               136           137           138           139           140 
      1  -0.257039D+01  0.311423D+01 -0.853995D+00  0.108119D+01 -0.130787D+01
      2  -0.811239D+01  0.189916D+01 -0.118880D+01  0.222226D+01 -0.577997D+00
      3   0.483398D+00 -0.147765D+01  0.796623D+00  0.274738D+00  0.134688D+01
               141           142           143           144           145 
      1  -0.384370D+00 -0.209271D+01  0.408692D+01 -0.278707D+01  0.192960D+01
      2   0.239170D+00 -0.422144D+01  0.736536D+00  0.470339D+00  0.414118D+01
      3  -0.432484D+00  0.581699D+00 -0.246361D+01  0.171922D+01  0.283814D+01
               146           147           148           149           150 
      1  -0.862675D+00 -0.251618D+01  0.993401D+00  0.493345D-01 -0.366250D+01
      2   0.434439D+00 -0.115560D+01  0.370613D+00 -0.164037D+00  0.514422D+00
      3   0.131182D+00 -0.224481D+01  0.149693D+01 -0.264942D+00 -0.598249D+00
               151           152           153           154           155 
      1  -0.186793D+01  0.197899D+01  0.606314D+01  0.290113D+01  0.119726D+01
      2  -0.453385D+01 -0.492363D+00 -0.697226D+00 -0.465153D+01  0.117385D+00
      3  -0.253248D+01  0.548022D+00  0.235216D+01 -0.550719D+01 -0.947750D+00
               156           157           158           159           160 
      1   0.266587D+01 -0.192496D+01  0.254678D+00 -0.371137D+01  0.287403D+01
      2  -0.319469D+00  0.175612D+01  0.215793D+00 -0.114229D+01 -0.235444D+01
      3  -0.257643D+01  0.450762D+01  0.535002D+00  0.917720D+00 -0.311507D+01
               161           162           163           164           165 
      1   0.105323D+01  0.478869D+01 -0.127967D+01 -0.519688D+00  0.135717D+01
      2  -0.369538D+00  0.194284D+01 -0.589318D+01  0.779612D+00  0.523343D+01
      3  -0.137590D+01 -0.186222D+01 -0.155759D+01 -0.395260D+01  0.796182D+00
               166           167           168           169           170 
      1  -0.343034D+00 -0.126783D+00 -0.199458D+01  0.268335D+01  0.103306D+01
      2   0.192052D+01 -0.314987D+01 -0.467678D+01  0.544354D+01 -0.886394D+01
      3  -0.544729D+01  0.206751D+01  0.300732D+01  0.363172D+01  0.553645D+01
               171           172           173           174           175 
      1  -0.720512D+01  0.171422D+01 -0.146376D+01  0.174913D+01 -0.248665D+01
      2  -0.225959D+02  0.673937D+01 -0.249685D+01  0.467038D+01 -0.313052D+01
      3   0.407741D+01  0.220821D+01 -0.719855D+01  0.982410D-01 -0.580929D+01
               176           177           178           179           180 
      1   0.418220D+01 -0.468850D+01  0.156786D+01 -0.221051D+01  0.285030D+01
      2   0.744310D+01 -0.536530D+01  0.429182D+01 -0.645150D+01  0.384136D+01
      3   0.155127D+02 -0.385184D+01 -0.316573D+01 -0.873537D+01  0.367697D+01
               181           182           183           184           185 
      1   0.263485D+00 -0.581195D+00 -0.234641D+00  0.149989D+00  0.521541D+00
      2  -0.386460D+01  0.650247D+00  0.925861D+01 -0.534115D+00 -0.326046D+01
      3   0.581926D+01 -0.863878D+01 -0.965981D+00 -0.148606D+01  0.483271D+01
               186           187           188           189           190 
      1  -0.927599D+00 -0.426073D+00  0.105945D+01 -0.167988D+00  0.349622D+01
      2  -0.147079D+00  0.622918D+01  0.380115D+00 -0.738996D+00  0.254921D+01
      3   0.346425D+01  0.797931D+00  0.428777D+01 -0.675282D+00 -0.948648D+01
               191           192           193           194           195 
      1   0.509955D+01 -0.439032D+00  0.568318D+01  0.729644D+01  0.299714D+00
      2   0.366806D+00  0.621096D+01  0.161438D+00  0.498235D+01  0.709554D+01
      3  -0.115565D+02 -0.373589D+01 -0.108506D+02 -0.190166D+02 -0.946994D+01
               196           197           198           199           200 
      1   0.111851D+01  0.284994D+01  0.743868D+00 -0.249834D+01  0.321710D+01
      2   0.252270D+01  0.300746D+01  0.332897D+01  0.554905D+01 -0.139000D+01
      3  -0.182037D+01 -0.531405D+01 -0.399795D+01  0.266611D+01 -0.611679D+01
               201           202           203           204           205 
      1  -0.188921D+01  0.288918D+01 -0.997044D+01  0.533648D+01 -0.215345D+01
      2   0.470144D+01 -0.136774D+01  0.918998D+01 -0.137576D+02  0.132560D+01
      3   0.323370D+01 -0.351690D+01  0.152697D+02 -0.104574D+02  0.260958D+01
               206           207           208           209           210 
      1   0.768864D+01 -0.566444D+01 -0.176311D+01 -0.262376D+01  0.121211D+01
      2  -0.801228D+01  0.132364D+02  0.204224D+02 -0.337939D+01 -0.808074D+01
      3  -0.882213D+01  0.879517D+01 -0.968532D+01  0.327617D+01  0.391948D+01
               211           212           213           214           215 
      1  -0.121720D+01  0.316413D+00  0.273038D-01  0.115347D+01  0.209496D+01
      2  -0.279187D+01  0.509852D+01  0.227834D+01 -0.860054D+01  0.112806D+01
      3   0.408431D+01 -0.315687D+01 -0.361833D+01  0.219648D+01 -0.219327D+01
               216           217           218           219           220 
      1  -0.248549D+00 -0.945681D+00  0.203031D+01  0.259038D+01  0.107992D+01
      2   0.535905D+01 -0.746923D+01  0.194238D+01 -0.113261D+01  0.193578D+01
      3  -0.168818D+01 -0.216579D+02  0.714996D+01  0.224634D+00  0.722516D+01
               221           222           223           224           225 
      1  -0.173537D+01 -0.107291D+01  0.177231D+01  0.452541D+00  0.509213D-01
      2  -0.851145D+00 -0.335896D+00 -0.304076D+01 -0.125632D+00 -0.181010D+01
      3  -0.684239D+01 -0.757903D+00  0.160025D+01 -0.284682D+01 -0.169487D+01
               226           227           228           229           230 
      1   0.150417D+01 -0.534721D+00 -0.139482D+01 -0.211239D+00  0.181799D+01
      2  -0.470773D+01 -0.305649D+00  0.282847D+01 -0.576505D+00 -0.204802D+01
      3  -0.258189D+01 -0.236426D+01 -0.985239D+00 -0.312919D+00  0.133072D+01
               231           232           233           234           235 
      1   0.198870D+01 -0.139712D+01  0.456240D+01  0.161888D+02 -0.448600D+01
      2  -0.450512D+01 -0.615170D+00  0.959195D+00 -0.316941D+02  0.386418D+01
      3   0.196974D+01 -0.114562D+01  0.464747D+01 -0.187890D+01 -0.749393D+01
               236           237           238           239           240 
      1  -0.462518D+01 -0.315067D+01 -0.570085D+01 -0.862292D+01 -0.390344D+01
      2   0.270361D+01  0.540783D+01  0.363809D+01  0.426596D+01  0.362164D+01
      3  -0.113358D+02  0.128455D+01 -0.682526D+01 -0.215132D+02  0.323214D-01
               241           242           243           244           245 
      1  -0.241876D+01 -0.191591D+01 -0.951540D+00  0.204101D+00 -0.277666D+00
      2   0.359968D+01  0.301353D+01  0.307726D+00 -0.565883D+01  0.108547D+00
      3  -0.919666D+00 -0.558410D+01 -0.139797D+01 -0.300580D+01 -0.160096D+01
               246           247           248           249           250 
      1  -0.818608D+00 -0.199072D-02 -0.450456D-01 -0.100669D+01 -0.122429D+01
      2   0.379268D+01  0.251272D+00 -0.267486D+01  0.421567D+01  0.122336D+01
      3  -0.462180D+00 -0.593739D+00 -0.107181D+01  0.288447D+01 -0.954347D+00
               251           252           253           254           255 
      1   0.268372D+01  0.322980D+01 -0.197766D+01  0.919247D+00 -0.218349D+01
      2   0.381766D+01 -0.187627D+02  0.157125D+02  0.367981D+01  0.624250D+01
      3   0.376799D+01 -0.221695D+01 -0.173520D+02 -0.151939D+02  0.100830D-01
               256           257           258           259           260 
      1  -0.151150D+01 -0.583032D+01 -0.378365D+01 -0.508746D+00  0.122878D+01
      2   0.485192D+01  0.436343D+01  0.611371D+01  0.428071D+01  0.502795D+01
      3  -0.608612D+01  0.223749D+02 -0.317151D+01  0.127266D+01 -0.617252D+01
               261           262           263           264           265 
      1   0.889491D+01  0.837224D+00 -0.126789D+01  0.668126D+00 -0.263634D+01
      2  -0.188508D+02 -0.786962D+00  0.467292D+00  0.111320D+01  0.279575D+00
      3  -0.467797D+01  0.298489D+01 -0.434603D+01 -0.182469D+01 -0.460021D+01
               266           267           268           269           270 
      1   0.942241D+01 -0.218737D+01  0.352224D+00 -0.102020D+01  0.893526D+00
      2  -0.466298D+01 -0.562857D+01  0.166548D+00 -0.180174D+01 -0.142285D+01
      3   0.312061D+02  0.673141D+01  0.150773D+01 -0.505841D+01  0.176373D+01
               271           272           273           274           275 
      1   0.119917D+01  0.516921D+00 -0.214319D+01  0.882085D+00  0.641701D+00
      2  -0.840956D+01 -0.185984D+00  0.778345D+01 -0.726565D+00 -0.144217D+01
      3   0.161279D+02 -0.580467D+01 -0.117719D+01 -0.429022D+01 -0.345124D+00
               276           277           278           279           280 
      1  -0.876900D-01 -0.212271D+01  0.621445D+00 -0.678501D-01  0.142042D+01
      2  -0.724598D+00  0.474112D+01 -0.268233D+00 -0.342443D+00 -0.113880D+01
      3   0.883642D+00 -0.186121D+01  0.192440D+01  0.197206D+01 -0.482574D+01
               281           282           283           284           285 
      1  -0.651389D+00  0.151626D+01 -0.326168D+00  0.505368D+01 -0.400314D+01
      2  -0.105693D+01 -0.121551D+01 -0.817098D+00  0.128078D+00  0.295134D+01
      3   0.805098D+01 -0.783135D-01  0.473089D+01 -0.307420D+02  0.456965D+00
               286           287           288           289           290 
      1   0.622005D+00 -0.105230D+01  0.397444D+00 -0.172900D+01 -0.585561D+00
      2  -0.153819D+01  0.257999D+01  0.574336D+00  0.431839D+01 -0.357499D-02
      3  -0.110630D+01  0.393294D+01 -0.280429D+01  0.158076D+01  0.883974D+00
               291           292           293           294           295 
      1   0.391682D+00 -0.235349D+00 -0.213964D+01  0.101389D+01 -0.290601D+00
      2  -0.170649D+01  0.137135D+01  0.209814D+01 -0.332084D+01 -0.181951D+01
      3   0.108005D+01  0.780967D+00  0.187209D+00 -0.183767D+01  0.146359D+01
               296           297 
      1   0.349788D+01 -0.110797D+02
      2  -0.375346D-01  0.248164D+02
      3  -0.441107D+01  0.990159D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.173410D+01 -0.760429D+01  0.179150D+02  0.143327D+02 -0.124841D+01
      2   0.858371D+01  0.353387D+01 -0.704605D+01 -0.418948D+01  0.215332D+01
      3  -0.684961D+01  0.407042D+01 -0.108689D+02 -0.101432D+02 -0.904909D+00
      4   0.904102D+00  0.299877D+01 -0.116996D+01  0.894388D+01  0.522039D+01
      5   0.195319D+02 -0.874591D-01 -0.788130D+01 -0.101940D+02 -0.374271D+01
      6  -0.165574D+00 -0.305706D+01  0.127801D+01 -0.149425D+01  0.390696D+01
                 6             7             8             9            10 
      1  -0.186496D+02 -0.234810D+02 -0.919992D+01  0.453690D+01  0.575258D+02
      2   0.233120D+01  0.440016D+01  0.198891D+01  0.454543D+01 -0.288735D+02
      3   0.163184D+02  0.190808D+02  0.721100D+01 -0.908233D+01 -0.286523D+02
      4  -0.431741D+01  0.458852D+01 -0.215298D+01 -0.471397D+01 -0.106066D+02
      5  -0.313014D+01  0.926015D+01 -0.413674D+01  0.598783D+01 -0.115269D+02
      6   0.124624D+02 -0.655397D+01  0.518172D+01  0.139005D+02  0.322103D+01
                11            12            13            14            15 
      1   0.807358D+01 -0.246120D+01  0.146051D+02 -0.262300D+01  0.493118D+01
      2  -0.708642D+01  0.451527D+01 -0.143990D+02  0.769854D+01 -0.447372D+00
      3  -0.987156D+00 -0.205407D+01 -0.206058D+00 -0.507554D+01 -0.448381D+01
      4   0.178158D+01 -0.373566D+01  0.164771D+02 -0.743019D+01 -0.103622D+01
      5  -0.462863D+01  0.998572D+01  0.120559D+02 -0.534631D+00 -0.287544D+01
      6   0.133419D+01 -0.649789D+01 -0.486450D+01  0.426559D+01  0.896626D+01
                16            17            18            19            20 
      1  -0.817013D+01  0.401490D+01 -0.180472D+02 -0.139950D+01  0.438810D+01
      2  -0.110426D+01  0.483530D+01  0.252749D+01 -0.326278D+01 -0.220032D+01
      3   0.927440D+01 -0.885020D+01  0.155197D+02  0.466229D+01 -0.218778D+01
      4   0.121633D+02  0.461957D+00 -0.394486D+01  0.183785D+01 -0.919054D+00
      5  -0.128474D+02 -0.363944D+01 -0.355519D+01 -0.169050D+02  0.327806D+01
      6  -0.621591D+01  0.250302D+01 -0.338918D+01  0.354014D+01  0.430661D+01
                21            22            23            24            25 
      1  -0.221418D+02 -0.101810D+02 -0.506107D+01 -0.488935D+01  0.243312D+02
      2   0.590764D+01 -0.190618D+01  0.597069D+01 -0.112794D+00  0.544384D-01
      3   0.162342D+02  0.120872D+02 -0.909626D+00  0.500214D+01 -0.243856D+02
      4   0.359454D+01  0.316553D+01 -0.106716D+01  0.367553D+01  0.464660D+01
      5  -0.170966D+01  0.152657D+01  0.157199D+01  0.758736D+01  0.124656D+02
      6   0.517248D+01  0.290494D+01  0.220707D+01  0.671948D+01  0.107567D+02
                26            27            28            29            30 
      1  -0.866870D+01  0.635519D+01  0.229856D+02 -0.208392D+01  0.172581D+01
      2   0.177571D+01 -0.229682D+01 -0.401313D+01  0.548506D+01  0.661501D+00
      3   0.689299D+01 -0.405837D+01 -0.189724D+02 -0.340114D+01 -0.238731D+01
      4   0.396510D+01  0.661302D+01  0.252270D+02  0.209631D+01 -0.180897D+01
      5   0.529845D+01 -0.555480D+01  0.546319D+01 -0.136819D+01  0.693057D+01
      6   0.120511D+01  0.993903D+01  0.442087D+01 -0.974510D+00  0.489653D+01
                31            32            33            34            35 
      1  -0.122058D+01 -0.202801D+00  0.688593D+01 -0.708272D+01  0.948025D+01
      2   0.668767D+01  0.439275D+01 -0.230302D+01  0.112371D+01  0.163713D+01
      3  -0.546709D+01 -0.418995D+01 -0.458292D+01  0.595901D+01 -0.111174D+02
      4   0.154491D+02 -0.965975D-01  0.135294D+01  0.105727D+02  0.513423D+01
      5   0.108738D+02  0.499995D+00  0.310288D+00 -0.155112D+02  0.240627D+01
      6  -0.115760D+01  0.365393D+01  0.574339D+01 -0.107344D+01  0.208782D+01
                36            37            38            39            40 
      1  -0.166135D+02  0.508679D+01 -0.109844D+02  0.179913D+02  0.421789D+01
      2   0.246325D+01  0.391131D+00  0.109844D+02 -0.115042D+02  0.466797D+01
      3   0.141503D+02 -0.547792D+01 -0.714524D-04 -0.648711D+01 -0.888586D+01
      4   0.133844D+01 -0.923612D+01 -0.167963D+01  0.348363D+01  0.163030D+02
      5  -0.133579D+01  0.842753D+01  0.228621D+01 -0.112585D+02 -0.221281D+01
      6  -0.694353D+01 -0.119659D+01 -0.531858D+01  0.520821D+01  0.226329D+00
                41            42            43            44            45 
      1  -0.977448D+01 -0.704710D+01 -0.201181D+02 -0.395428D+01  0.828119D+01
      2   0.156947D+02 -0.990917D+01  0.154328D+01 -0.298819D+01 -0.293639D+00
      3  -0.592022D+01  0.169563D+02  0.185748D+02  0.694247D+01 -0.798755D+01
      4   0.680733D+01 -0.241471D+01 -0.216793D+01 -0.252490D+01 -0.679621D+01
      5  -0.119257D+01 -0.115870D+01  0.538481D+01 -0.584398D+01  0.911819D+01
      6  -0.622776D+01  0.467575D+01 -0.103824D+02  0.451165D+00  0.916265D+01
                46            47            48            49            50 
      1  -0.528785D+01  0.866489D+01 -0.206052D+02 -0.257458D+01 -0.140049D+02
      2   0.267955D+01 -0.698892D+01  0.605072D+01 -0.681256D+01  0.226969D+02
      3   0.260830D+01 -0.167598D+01  0.145545D+02  0.938714D+01 -0.869201D+01
      4   0.106880D+02  0.414410D+00  0.560257D+01  0.836979D+01 -0.681811D+01
      5  -0.856609D+01  0.593380D+01 -0.168655D+01  0.108110D+02  0.267174D+01
      6   0.464266D+01  0.378747D+01 -0.418917D+01 -0.179523D+01 -0.559179D+01
                51            52            53            54            55 
      1   0.662527D+01  0.365486D+02 -0.250875D+01  0.999755D+01 -0.361696D+02
      2  -0.120924D+02 -0.119026D+02 -0.480084D+00 -0.608406D+01  0.166192D+02
      3   0.546710D+01 -0.246461D+02  0.298884D+01 -0.391349D+01  0.195504D+02
      4   0.122431D+01 -0.290432D+01 -0.530358D+00  0.758909D+01 -0.621614D+01
      5   0.719180D+01  0.367714D+01  0.701844D+01 -0.526655D+01 -0.362295D+01
      6   0.360854D+01  0.116787D+02 -0.368188D+01  0.689027D+01  0.292096D+00
                56            57            58            59            60 
      1  -0.109103D+02 -0.528082D+01 -0.379356D+02 -0.251867D+02  0.156617D+01
      2   0.794187D+01  0.119269D+00  0.269790D+02  0.532965D+01  0.605596D+01
      3   0.296839D+01  0.516155D+01  0.109566D+02  0.198570D+02 -0.762213D+01
      4  -0.285966D+02  0.670329D+00 -0.487348D+02  0.151313D+02 -0.154822D+02
      5   0.492726D+00 -0.129586D+02 -0.548314D+00 -0.149198D+02  0.143544D+02
      6   0.322540D+00  0.167874D+01  0.292196D-01  0.363762D+01 -0.518138D+01
                61            62            63            64            65 
      1  -0.160076D+02  0.833108D+00 -0.133973D+01 -0.888475D+02  0.309772D+02
      2  -0.202199D+01  0.763787D+01  0.702007D+01  0.485758D+02 -0.141571D+02
      3   0.180296D+02 -0.847098D+01 -0.568035D+01  0.402716D+02 -0.168200D+02
      4  -0.109982D+01 -0.201554D+02  0.259122D+02  0.301430D+02  0.240837D+02
      5  -0.242854D+02  0.226767D+02  0.376898D+02  0.263108D+02 -0.285054D+01
      6   0.116672D+02 -0.523883D+01 -0.117223D+02  0.105010D+01 -0.289095D+01
                66            67            68            69            70 
      1   0.255845D+02  0.686459D+02  0.245055D+02 -0.828643D+01  0.386897D+02
      2  -0.143937D+02 -0.323260D+02 -0.115510D+02  0.821672D+01 -0.158916D+02
      3  -0.111908D+02 -0.363200D+02 -0.129546D+02  0.697166D-01 -0.227981D+02
      4  -0.154752D+01  0.322213D+02  0.862276D+01  0.242887D+02  0.280338D+01
      5   0.583225D+01 -0.271478D+01  0.255535D+02 -0.204616D+02 -0.132460D+01
      6   0.133554D+01  0.218123D+01  0.651316D+01 -0.381539D+01 -0.299731D+01
                71            72            73            74            75 
      1  -0.400229D+01  0.586426D+00  0.345488D+02 -0.243642D+02 -0.210707D+02
      2   0.791203D+01 -0.316473D+00 -0.178198D+02  0.604735D+01  0.113152D+02
      3  -0.390974D+01 -0.269953D+00 -0.167290D+02  0.183169D+02  0.975550D+01
      4   0.227597D+02 -0.162002D+02 -0.232577D+02 -0.323470D+02 -0.572240D+01
      5  -0.166120D+02 -0.334319D+02 -0.130747D+02 -0.795126D+01 -0.180885D+02
      6  -0.470506D+01 -0.501012D+01 -0.151397D+02 -0.911513D+01 -0.415547D+00
                76            77            78            79            80 
      1  -0.325158D+02 -0.280616D+02 -0.140759D+01 -0.232231D+02  0.124428D+01
      2   0.836667D+01  0.186597D+02 -0.111652D+02  0.112413D+02 -0.112328D+02
      3   0.241491D+02  0.940187D+01  0.125728D+02  0.119818D+02  0.998854D+01
      4  -0.423436D+02 -0.110010D+02 -0.384009D+02 -0.221190D+01 -0.274671D+02
      5  -0.949010D+01 -0.451011D+02  0.212876D+02 -0.102387D+02  0.190041D+02
      6  -0.152576D+02 -0.542650D+01 -0.107114D+02  0.176780D+01 -0.892893D+01
                81            82            83            84            85 
      1  -0.946957D+01  0.348373D+02 -0.225172D+02 -0.125707D+02 -0.305588D+02
      2  -0.499337D+00 -0.352960D+02  0.380250D+00  0.646960D+01  0.134852D+01
      3   0.996891D+01  0.458683D+00  0.221369D+02  0.610113D+01  0.292103D+02
      4   0.166815D+02 -0.192387D+02 -0.393978D+02 -0.873239D+00 -0.400277D+02
      5   0.136358D+02 -0.153980D+02  0.590241D+01 -0.415910D+01  0.361286D+01
      6   0.124869D+02  0.726090D+00  0.438564D+01 -0.261068D+01  0.277100D+01
                86            87            88            89            90 
      1  -0.267235D+02  0.844323D+01 -0.147271D+02  0.252068D+01  0.266604D+01
      2   0.343641D+00 -0.667748D+01  0.180382D+01 -0.763564D+01  0.220847D+02
      3   0.263798D+02 -0.176575D+01  0.129233D+02  0.511496D+01 -0.247508D+02
      4  -0.313730D+02 -0.157750D+02 -0.109515D+02 -0.229676D+02  0.958968D+01
      5  -0.136392D+02  0.204563D+02 -0.258957D+01  0.125216D+02  0.498010D+02
      6  -0.661225D+01  0.102346D+02 -0.108953D+01  0.956633D+01  0.116580D+02
                91            92            93            94            95 
      1   0.714215D+01 -0.517425D+01 -0.196109D+01 -0.116751D+02 -0.170450D+02
      2  -0.830729D+01 -0.132440D+01 -0.533709D+00  0.736456D+01  0.589495D+01
      3   0.116515D+01  0.649866D+01  0.249479D+01  0.431051D+01  0.111501D+02
      4  -0.231047D+02 -0.156761D+02 -0.833666D+01 -0.432197D+02  0.193814D+02
      5  -0.815850D+01 -0.763709D+01 -0.890745D+01 -0.137815D+02 -0.541485D+00
      6  -0.563430D+01 -0.200091D+01 -0.425797D+01 -0.201711D+01 -0.553273D+01
                96            97            98            99           100 
      1  -0.705769D+01 -0.164603D+02 -0.985932D+01 -0.130281D+01 -0.618021D+01
      2   0.301180D+00  0.158820D+00 -0.719444D+00  0.783156D+01  0.230677D+00
      3   0.675651D+01  0.163015D+02  0.105788D+02 -0.652874D+01  0.594953D+01
      4   0.891056D-01 -0.208546D+02 -0.130686D+02 -0.161375D+02  0.157159D+02
      5  -0.128177D+02 -0.148860D+02 -0.152164D+02  0.308502D+02 -0.163544D+02
      6  -0.320030D+01 -0.814823D+01 -0.256085D+01  0.927079D+01  0.557132D+01
               101           102           103           104           105 
      1   0.708936D+01 -0.728425D+01  0.233334D+02  0.123606D+01  0.101066D+02
      2  -0.111370D+00  0.529423D+01 -0.167459D+02  0.588707D+01 -0.227349D+01
      3  -0.697800D+01  0.199002D+01 -0.658747D+01 -0.712313D+01 -0.783310D+01
      4  -0.452674D+01  0.785447D+01 -0.181543D+01 -0.194222D+02 -0.481128D+01
      5   0.712483D+01 -0.293455D+01  0.827108D+01 -0.435475D+01  0.256093D+02
      6  -0.626772D+01  0.547420D+01 -0.163672D+01 -0.710367D+00 -0.160005D+02
               106           107           108           109           110 
      1  -0.255598D+02  0.112891D+02 -0.422716D+01  0.441809D+02 -0.137141D+02
      2   0.818050D+01  0.524740D+01  0.273101D+01 -0.201781D+02  0.389264D+01
      3   0.173793D+02 -0.165365D+02  0.149615D+01 -0.240028D+02  0.982141D+01
      4   0.245278D+02 -0.238827D+02  0.213323D+02 -0.267633D+02  0.217995D+02
      5  -0.192607D+02  0.193211D+02 -0.222003D+02  0.303013D+02 -0.654370D+01
      6   0.113837D+02 -0.183148D+02  0.520486D+01 -0.114263D+02  0.427107D+01
               111           112           113           114           115 
      1   0.232391D+02 -0.182890D+02  0.427184D+01 -0.166901D+01  0.426085D+02
      2  -0.137368D+02  0.321961D+01  0.792024D+01 -0.173909D+01 -0.192310D+02
      3  -0.950233D+01  0.150694D+02 -0.121921D+02  0.340810D+01 -0.233775D+02
      4  -0.107613D+02  0.266920D+02 -0.237387D+02  0.177225D+02 -0.280657D+02
      5   0.217260D+02 -0.124235D+02  0.170501D+02 -0.201080D+02  0.350721D+02
      6  -0.764459D+01  0.614487D+01 -0.121577D+02  0.181285D+02 -0.113890D+02
               116           117           118           119           120 
      1  -0.515508D+01  0.993907D+01 -0.219085D+00 -0.102092D+02 -0.125195D+02
      2  -0.509445D+01 -0.138012D+02 -0.283827D+01  0.123615D+02  0.789993D+01
      3   0.102495D+02  0.386210D+01  0.305735D+01 -0.215236D+01  0.461958D+01
      4   0.350197D+02 -0.192594D+02  0.788695D+00 -0.561944D+01  0.321395D+01
      5  -0.177030D+02  0.562457D+02 -0.753391D+01 -0.141887D+01  0.583478D+01
      6   0.168609D+02 -0.277344D+02  0.363125D+01  0.594427D+01  0.165926D+01
               121           122           123           124           125 
      1  -0.766982D+01 -0.167706D+01 -0.527186D+01 -0.138647D+02 -0.795548D+01
      2   0.150851D+02 -0.216818D+02  0.646434D+00  0.752061D+01  0.652125D+01
      3  -0.741526D+01  0.233589D+02  0.462542D+01  0.634409D+01  0.143423D+01
      4  -0.984702D+01  0.479671D+02 -0.293014D+00  0.124643D+02 -0.142719D+02
      5   0.105344D+01  0.330660D+00 -0.466700D+01  0.168604D+02 -0.169317D+02
      6   0.339312D+01 -0.593580D+00  0.102104D+02 -0.683169D+01  0.208658D+02
               126           127           128           129           130 
      1  -0.103106D+02 -0.312953D+00  0.612126D+00  0.270764D+01 -0.237378D+01
      2  -0.654057D+01 -0.540770D+01 -0.157752D+01  0.562353D+01 -0.686031D+00
      3   0.168512D+02  0.572066D+01  0.965399D+00 -0.833117D+01  0.305981D+01
      4  -0.149011D+02  0.159248D+01  0.251483D+01 -0.796326D+00  0.137267D+01
      5  -0.323844D+02 -0.922756D+01 -0.245791D+01  0.117907D+02 -0.225269D+01
      6   0.235452D+02  0.417658D+00 -0.141465D+01 -0.123780D+01 -0.122868D+01
               131           132           133           134           135 
      1  -0.326949D+01  0.737060D+01  0.361416D+01  0.382655D+01 -0.231513D+02
      2  -0.678959D+00  0.322211D+01  0.717586D+01  0.250463D+01 -0.160286D+02
      3   0.394845D+01 -0.105927D+02 -0.107900D+02 -0.633118D+01  0.391799D+02
      4   0.103019D+01 -0.159554D+01 -0.224792D+01 -0.354428D+01  0.252697D+01
      5  -0.270625D+01  0.377279D+01  0.124096D+02  0.419346D+01 -0.200345D+02
      6  -0.262129D+01  0.218218D+01  0.577878D+00  0.517529D+01 -0.106724D+01
               136           137           138           139           140 
      1   0.270961D+01  0.218303D+00 -0.168679D+01  0.523253D+00 -0.211644D+01
      2  -0.533045D+01  0.975195D+00 -0.420080D+01  0.222449D+01 -0.348239D+00
      3   0.262084D+01 -0.119350D+01  0.588759D+01 -0.274775D+01  0.246468D+01
      4  -0.208549D+01  0.345352D+01 -0.116811D+01  0.225929D+01 -0.283324D+01
      5   0.111160D+02 -0.317227D+01  0.972274D+01 -0.443685D+01  0.342820D+01
      6  -0.783596D+00  0.178947D+01 -0.967489D+00  0.762708D+00 -0.293804D+01
               141           142           143           144           145 
      1   0.510137D+01 -0.388279D+01  0.424369D+01 -0.127090D+02 -0.315470D+01
      2   0.232065D+01 -0.529435D+01  0.121567D+01 -0.852376D+01 -0.262244D+01
      3  -0.742203D+01  0.917715D+01 -0.545936D+01  0.212327D+02  0.577713D+01
      4   0.120736D+01 -0.171056D+01  0.287287D+01 -0.214379D+01  0.542045D+01
      5  -0.606717D+01  0.119564D+02 -0.435163D+01  0.152504D+02 -0.883766D+01
      6   0.251808D+01 -0.197682D+01  0.477809D+01 -0.359411D+01 -0.589726D+01
               146           147           148           149           150 
      1  -0.170598D+01  0.569013D+01 -0.274810D+01 -0.527869D+01  0.915400D+01
      2   0.214590D+00  0.284646D+01 -0.371898D+00  0.150161D+01  0.413977D-01
      3   0.149139D+01 -0.853659D+01  0.312000D+01  0.377708D+01 -0.919539D+01
      4   0.358102D+01 -0.559234D+01  0.227256D+01  0.185570D+01 -0.293515D+01
      5  -0.347112D+01  0.116787D+02 -0.299132D+01 -0.261535D+01  0.364262D+01
      6  -0.344515D+01  0.643265D+01 -0.300359D+01 -0.592860D+01  0.961842D+01
               151           152           153           154           155 
      1   0.770841D+01  0.112915D+02 -0.300248D+02  0.265233D+01  0.243841D+01
      2   0.196651D+01 -0.296462D+01 -0.546949D+01 -0.192391D+01 -0.295430D+01
      3  -0.967492D+01 -0.832686D+01  0.354943D+02 -0.728420D+00  0.515892D+00
      4  -0.599295D+01 -0.505578D+01  0.825123D+01 -0.109236D+02  0.824014D+01
      5   0.104999D+02  0.515354D+01 -0.169362D+02  0.156720D+02 -0.605041D+01
      6   0.871563D+01  0.131898D+02 -0.247437D+02 -0.879865D+01  0.613445D+01
               156           157           158           159           160 
      1  -0.121194D+01  0.221185D+00 -0.442960D+01  0.493712D+01 -0.426573D+01
      2  -0.129542D+01  0.506809D+00  0.280998D+01 -0.703969D+00 -0.134973D+01
      3   0.250736D+01 -0.727994D+00  0.161962D+01 -0.423315D+01  0.561546D+01
      4  -0.835578D+01  0.548641D+01 -0.642245D+01  0.641275D+01 -0.893178D+01
      5   0.136596D+02 -0.802338D+01  0.559566D+01 -0.888757D+01  0.149569D+02
      6  -0.868087D+01  0.594190D+01 -0.707133D+01  0.921477D+01 -0.107715D+02
               161           162           163           164           165 
      1   0.834182D+01 -0.140193D+02  0.917406D+01 -0.225562D+01 -0.837244D+01
      2  -0.457167D+01 -0.116776D+01 -0.780211D+01  0.658943D+00  0.619904D+01
      3  -0.377014D+01  0.151871D+02 -0.137195D+01  0.159668D+01  0.217340D+01
      4   0.789476D+01 -0.107788D+02 -0.577454D+01  0.983660D+01  0.651322D+01
      5  -0.812239D+01  0.199063D+02 -0.155831D+02  0.473346D+01  0.157967D+02
      6   0.123870D+02 -0.187721D+02  0.462448D+01 -0.183405D+01 -0.313846D+01
               166           167           168           169           170 
      1   0.518891D+01  0.102360D+01 -0.270234D+01 -0.156915D+02 -0.462040D+01
      2  -0.370204D+01  0.489325D+00  0.118402D+01  0.141338D+02  0.573950D+00
      3  -0.148687D+01 -0.151293D+01  0.151832D+01  0.155771D+01  0.404645D+01
      4   0.116392D+02 -0.953375D+01 -0.899630D+01  0.128735D+02 -0.143849D+02
      5   0.468239D+01 -0.906690D+01 -0.941180D+01  0.284377D+02 -0.186818D+02
      6  -0.335873D+01  0.637210D+01  0.944508D+01 -0.976419D+01  0.119217D+02
               171           172           173           174           175 
      1  -0.470256D+01  0.207284D+02 -0.100657D+02  0.609812D+01 -0.111980D+02
      2  -0.119501D+02 -0.397751D+01 -0.457567D+00 -0.159890D+01 -0.420159D+01
      3   0.166527D+02 -0.167509D+02  0.105232D+02 -0.449922D+01  0.153996D+02
      4  -0.219039D+02 -0.228541D+02  0.255364D+02 -0.530845D+01  0.336528D+02
      5  -0.502862D+02  0.832662D+01 -0.324535D+01  0.724082D+01 -0.455847D+01
      6   0.198163D+02 -0.255317D+01  0.162254D+00 -0.164763D+01  0.173661D+01
               176           177           178           179           180 
      1   0.376524D+01 -0.547074D+00  0.181276D+02 -0.381746D+00  0.218798D+01
      2   0.182118D+02 -0.420118D+01 -0.470163D+01 -0.688691D+01  0.461966D+00
      3  -0.219771D+02  0.474825D+01 -0.134260D+02  0.726866D+01 -0.264995D+01
      4  -0.471886D+02  0.113994D+02 -0.147209D+02  0.224527D+02 -0.134149D+02
      5   0.102201D+02 -0.841628D+01  0.964836D+01 -0.117981D+02  0.691171D+01
      6  -0.348108D+01  0.520054D+01 -0.417165D+01  0.591381D+01 -0.366989D+01
               181           182           183           184           185 
      1   0.144309D+03 -0.181503D+02 -0.183684D+02 -0.290970D+02  0.138737D+02
      2  -0.736308D+02  0.949740D+01  0.918709D+01  0.144313D+02 -0.527235D+01
      3  -0.706786D+02  0.865288D+01  0.918128D+01  0.146657D+02 -0.860132D+01
      4  -0.144701D+02  0.138738D+02  0.191428D+01  0.174642D+02 -0.889980D+01
      5  -0.220194D+02  0.269583D+01  0.172813D+02  0.296825D+01 -0.660145D+01
      6   0.973652D+00 -0.126625D+01  0.128133D+01 -0.161068D+01  0.267384D-01
               186           187           188           189           190 
      1   0.331209D+01 -0.221937D+02  0.224691D+01  0.172638D+02  0.347503D+02
      2  -0.229230D+01  0.126549D+02 -0.208969D+01 -0.106069D+02 -0.156298D+02
      3  -0.101979D+01  0.953883D+01 -0.157224D+00 -0.665690D+01 -0.191205D+02
      4  -0.608729D+01  0.645041D+00 -0.574185D+01 -0.568297D+00  0.335645D+02
      5  -0.993891D+00  0.241446D+02 -0.827245D+00 -0.545969D+01  0.278179D+02
      6   0.238611D+01 -0.202700D-01  0.251051D+01  0.867748D+00  0.124471D+02
               191           192           193           194           195 
      1   0.212878D+02  0.141594D+02  0.256831D+02  0.162267D+02  0.665009D+01
      2  -0.617892D+01 -0.987657D+01 -0.723808D+01  0.122256D+01 -0.354312D+01
      3  -0.151089D+02 -0.428282D+01 -0.184450D+02 -0.174492D+02 -0.310697D+01
      4   0.309250D+02  0.136030D+02  0.396049D+02  0.465283D+02  0.233823D+02
      5   0.168714D+02  0.220595D+02  0.244819D+02  0.272195D+02  0.213217D+02
      6   0.110897D+02  0.769204D+01  0.150954D+02  0.196996D+02  0.143329D+02
               196           197           198           199           200 
      1   0.791972D+01  0.239428D+01  0.704406D+01  0.110214D+02 -0.677383D+01
      2  -0.660151D+01 -0.221932D+01 -0.591934D+01 -0.914787D+01  0.578678D+01
      3  -0.131821D+01 -0.174956D+00 -0.112471D+01 -0.187355D+01  0.987052D+00
      4   0.100775D+02  0.122891D+02  0.118638D+02 -0.753742D+01  0.129870D+02
      5   0.185542D+02  0.124514D+02  0.146559D+02  0.172030D+02 -0.825719D+01
      6   0.720227D+01  0.100681D+02  0.744905D+01 -0.169519D+01  0.430556D+01
               201           202           203           204           205 
      1   0.124710D+02 -0.119422D+02  0.691981D+01 -0.409431D+01  0.103175D+02
      2  -0.107151D+02  0.105811D+02 -0.878340D+01  0.138182D+02 -0.110109D+02
      3  -0.175581D+01  0.136117D+01  0.186359D+01 -0.972392D+01  0.693400D+00
      4  -0.598186D+01  0.141302D+02 -0.287730D+02  0.223377D+02 -0.599755D+01
      5   0.180375D+02 -0.158648D+02  0.251893D+02 -0.323433D+02  0.187691D+02
      6  -0.181211D+01  0.541725D+01 -0.127687D+02  0.962286D+01 -0.253590D+01
               206           207           208           209           210 
      1  -0.155025D+01  0.262623D+01 -0.451971D+02  0.972173D+01  0.137737D+02
      2   0.956016D+01 -0.174821D+02  0.220589D+02 -0.532160D+01 -0.200305D+01
      3  -0.800991D+01  0.148558D+02  0.231382D+02 -0.440013D+01 -0.117706D+02
      4   0.166037D+02 -0.176996D+02 -0.370837D+01 -0.287803D+01 -0.137464D+01
      5  -0.193905D+02  0.341505D+02 -0.100780D+02 -0.134381D+01 -0.790392D+01
      6   0.952969D+01 -0.789079D+01  0.581957D+01 -0.514929D+01 -0.638610D+01
               211           212           213           214           215 
      1   0.932055D+01 -0.725102D+01 -0.552270D+01  0.110798D+02 -0.326436D+01
      2  -0.454081D+01  0.436448D+01  0.350624D+01 -0.269700D+01  0.145163D+01
      3  -0.477974D+01  0.288653D+01  0.201646D+01 -0.838278D+01  0.181273D+01
      4   0.236274D+01  0.325748D+01  0.571724D+01  0.659422D+00  0.384641D+01
      5   0.820546D+00  0.495768D+01  0.665253D+00  0.165922D+01 -0.816874D+00
      6  -0.193465D+01  0.411489D+01  0.525298D+01 -0.330316D+01  0.435755D+01
               216           217           218           219           220 
      1  -0.101282D+02 -0.416470D+02  0.143768D+02  0.172737D+01  0.108429D+02
      2   0.959137D+00  0.279687D+02 -0.142234D+02 -0.202170D+01 -0.862042D+01
      3   0.916910D+01  0.136783D+02 -0.153401D+00  0.294323D+00 -0.222249D+01
      4  -0.981956D+00 -0.124838D+02 -0.414623D+01  0.347168D+01  0.327765D+01
      5   0.361881D+01  0.118899D+02  0.420629D+00 -0.610921D+01 -0.174325D+01
      6   0.246398D+01  0.521060D+00  0.337883D+01 -0.471342D+01  0.107454D+01
               221           222           223           224           225 
      1  -0.104996D+02  0.934701D-01  0.608401D+01 -0.276614D+01 -0.605072D+01
      2   0.126685D+02  0.558030D+00 -0.369587D+01  0.396407D+01  0.622396D+00
      3  -0.216893D+01 -0.651500D+00 -0.238815D+01 -0.119793D+01  0.542832D+01
      4   0.516456D+01  0.490432D+00  0.191611D+01  0.409731D+01 -0.135138D+01
      5   0.234005D+01 -0.217127D+00 -0.189934D+01  0.818032D-01 -0.284317D+01
      6  -0.139682D+01  0.101827D+01 -0.258615D+01  0.139690D+01 -0.519867D+00
               226           227           228           229           230 
      1   0.662657D+00  0.241236D+01 -0.842558D+01 -0.113341D+01  0.438571D+00
      2  -0.240781D+01  0.260887D+00  0.650061D+01  0.257627D+01 -0.162300D+01
      3   0.174516D+01 -0.267324D+01  0.192497D+01 -0.144286D+01  0.118443D+01
      4   0.308741D+01  0.637566D+01 -0.272180D+01  0.428505D+01  0.191623D-02
      5  -0.101400D+02 -0.122234D+01  0.131784D+02  0.108473D+01 -0.536787D+01
      6  -0.257806D+01 -0.124114D+01  0.163141D+01 -0.812458D+00 -0.215353D+00
               231           232           233           234           235 
      1   0.889223D-01 -0.842472D+01  0.206825D+01 -0.132688D+02  0.270620D+02
      2  -0.472056D+01  0.844674D+01 -0.373951D+01 -0.242628D+02 -0.407051D+00
      3   0.463164D+01 -0.220108D-01  0.167125D+01  0.375317D+02 -0.266550D+02
      4  -0.454314D+01 -0.525959D+01 -0.894125D+01  0.434473D+01  0.405483D+02
      5  -0.965715D+01  0.165403D+02  0.383594D+01 -0.682568D+02 -0.370536D+01
      6   0.347491D+01  0.437515D+01  0.770149D+01 -0.244116D+02 -0.313602D+01
               236           237           238           239           240 
      1   0.202330D+02  0.204393D+01  0.184003D+02  0.109931D+02 -0.166797D+00
      2   0.501533D+01  0.818425D-01  0.800867D+01  0.259345D+02  0.122205D+01
      3  -0.252483D+02 -0.212577D+01 -0.264089D+02 -0.369276D+02 -0.105526D+01
      4   0.439943D+02 -0.119431D+01  0.462771D+02  0.665653D+02 -0.620815D+00
      5  -0.531896D+01  0.931319D+01 -0.511259D+01 -0.411151D+01  0.667989D+01
      6  -0.476097D+01  0.531087D+01 -0.460429D+01 -0.766740D+01  0.592214D+01
               241           242           243           244           245 
      1   0.694810D+01  0.192353D+01  0.352781D+01  0.775633D+00  0.353270D+01
      2   0.378923D+00  0.532874D+01 -0.129541D+01 -0.416871D+01 -0.169023D+01
      3  -0.732703D+01 -0.725227D+01 -0.223240D+01  0.339308D+01 -0.184246D+01
      4   0.854374D+01  0.138507D+02  0.751152D+01  0.632959D+01  0.524068D+01
      5   0.740466D+01  0.596764D+01 -0.131735D+01 -0.117063D+02 -0.150876D+01
      6   0.427969D+01  0.457700D+01  0.354255D+00 -0.373723D+01 -0.364675D+00
               246           247           248           249           250 
      1  -0.652332D+01  0.403055D+01  0.204054D-01  0.211388D+01 -0.787587D+01
      2   0.513601D+01 -0.176875D+01  0.836890D-02 -0.373443D+00  0.866255D+01
      3   0.138732D+01 -0.226180D+01 -0.287743D-01 -0.174044D+01 -0.786677D+00
      4  -0.256379D+01  0.893086D+01  0.443686D+01 -0.728952D+01 -0.466279D+01
      5   0.122762D+02 -0.213478D+01 -0.730140D+01  0.866871D+01  0.169373D+02
      6   0.224237D+01 -0.169125D+01 -0.394277D+01  0.698898D+01  0.327519D+01
               251           252           253           254           255 
      1   0.227399D+01 -0.574135D+01 -0.869528D+02 -0.963796D+01  0.937910D+01
      2   0.724118D+00 -0.131067D+02  0.444950D+02  0.137832D+02 -0.598212D+01
      3  -0.299811D+01  0.188481D+02  0.424579D+02 -0.414525D+01 -0.339698D+01
      4  -0.105987D+02  0.946155D+01 -0.168684D+02  0.253196D+02  0.881485D+01
      5   0.804219D+01 -0.408437D+02  0.119892D+02  0.551331D+01  0.996075D+01
      6   0.615115D+01 -0.119854D+02  0.890614D+01  0.371367D+01  0.386803D+01
               256           257           258           259           260 
      1   0.165304D+02  0.355679D+02  0.780386D+00  0.290570D+02  0.216324D+01
      2  -0.158215D+01 -0.367574D+02 -0.587752D+00 -0.103068D+02  0.312616D+01
      3  -0.149482D+02  0.118953D+01 -0.192634D+00 -0.187502D+02 -0.528940D+01
      4   0.354059D+02 -0.187076D+02  0.103622D+02  0.225242D+02  0.190106D+02
      5   0.119833D+02  0.132639D+02  0.130113D+02  0.156523D+02  0.112721D+02
      6   0.718270D+01  0.401847D+01  0.678436D+01  0.812505D+01  0.692618D+01
               261           262           263           264           265 
      1   0.128543D+02  0.324111D+01 -0.648072D+01 -0.145023D+01 -0.236214D+01
      2   0.616546D+01  0.403151D+01 -0.336349D+01 -0.402199D+00 -0.940683D+01
      3  -0.190197D+02 -0.727262D+01  0.984420D+01  0.185242D+01  0.117690D+02
      4   0.144979D+02 -0.132192D+02  0.203444D+02  0.449263D+01  0.254713D+02
      5  -0.273292D+02 -0.484106D+01  0.579794D+01  0.360020D+01  0.690334D+01
      6  -0.842050D+01  0.361979D+01 -0.420274D+01 -0.163841D+01 -0.589206D+01
               266           267           268           269           270 
      1  -0.158541D+02 -0.453182D+01  0.298567D+00  0.446825D+00 -0.211798D+01
      2   0.447621D+02  0.680171D+01  0.266981D+01 -0.811672D+01  0.191964D+01
      3  -0.289081D+02 -0.226989D+01 -0.296838D+01  0.766989D+01  0.198340D+00
      4  -0.668382D+02 -0.139341D+02 -0.383616D+01  0.995860D+01 -0.356887D+01
      5  -0.162097D+02 -0.117507D+02  0.189698D+01 -0.344261D+01 -0.352481D+01
      6   0.199946D+02  0.978093D+01 -0.112059D+01  0.426673D+01  0.263325D+01
               271           272           273           274           275 
      1   0.131647D+03  0.120880D+02 -0.489346D+01 -0.574268D+01  0.719012D+01
      2  -0.618589D+02 -0.199465D+01  0.204169D+01  0.590485D+01 -0.326819D+00
      3  -0.697877D+02 -0.100934D+02  0.285177D+01 -0.162173D+00 -0.686330D+01
      4   0.472749D+02  0.188935D+02 -0.125927D+00  0.125344D+02  0.606334D+01
      5   0.332030D+01  0.128195D+01  0.126600D+02 -0.113695D+01 -0.184481D+01
      6  -0.979565D+00  0.124290D+01  0.377972D+01 -0.588850D-01 -0.281556D+00
               276           277           278           279           280 
      1   0.191320D+00 -0.186550D+02 -0.171685D+01  0.997770D+01  0.109934D+01
      2  -0.275185D+00  0.787350D+01 -0.708501D+00 -0.702288D+01  0.266881D+01
      3   0.838646D-01  0.107815D+02  0.242536D+01 -0.295482D+01 -0.376815D+01
      4  -0.210178D+01 -0.884631D+01 -0.572403D+01  0.247418D+01  0.391651D+01
      5  -0.153162D+01  0.141094D+02  0.398430D+00 -0.811652D+00 -0.228013D+01
      6  -0.370710D-01  0.373760D+01  0.757283D+00 -0.319444D+00 -0.940943D+00
               281           282           283           284           285 
      1   0.136546D+02 -0.124470D+01  0.102577D+02 -0.319766D+02 -0.445232D+00
      2  -0.144375D+02  0.871112D+00 -0.389978D+01  0.534899D+02 -0.544702D+00
      3   0.782890D+00  0.373587D+00 -0.635789D+01 -0.215133D+02  0.989934D+00
      4  -0.735075D+01 -0.210211D+01  0.954309D+01  0.524922D+02 -0.420406D-01
      5  -0.365220D+00 -0.250044D+01  0.119054D+01 -0.248260D+01  0.559025D+01
      6  -0.149058D+01 -0.215327D+01 -0.936931D-01  0.462780D+01  0.644038D+01
               286           287           288           289           290 
      1  -0.531224D+01  0.113357D+01 -0.568295D+01  0.667592D+01  0.930424D+00
      2   0.150745D+01 -0.469336D+01  0.460062D+01 -0.625584D+01 -0.178540D+01
      3   0.380479D+01  0.355980D+01  0.108233D+01 -0.420078D+00  0.854976D+00
      4  -0.457340D+01 -0.887304D+01  0.373009D+01 -0.139627D+00 -0.276551D+01
      5   0.277114D+00  0.485329D+01  0.657189D+00  0.380353D+01 -0.119323D+01
      6  -0.376452D+00  0.687191D+01 -0.215616D+00  0.237198D+00 -0.137423D+01
               291           292           293           294           295 
      1   0.571865D+01 -0.595007D+01 -0.600705D+01 -0.889530D+00  0.105869D+02
      2  -0.248671D+01  0.251270D+01  0.343457D+01  0.338994D+01 -0.676367D+01
      3  -0.323193D+01  0.343738D+01  0.257248D+01 -0.250041D+01 -0.382328D+01
      4   0.252238D+00 -0.331824D+01 -0.183165D+01  0.262830D+01  0.602963D+01
      5   0.112133D+01 -0.269950D+01  0.244171D+01 -0.565448D+01  0.105544D+02
      6  -0.949993D+00 -0.735503D+00  0.367228D+00  0.160172D+01  0.231645D+01
               296           297 
      1  -0.959701D+00 -0.113293D+02
      2   0.330938D+01 -0.136575D+02
      3  -0.234968D+01  0.249868D+02
      4   0.966775D+01  0.646704D+00
      5   0.156850D+01  0.445072D+02
      6   0.461604D+01  0.170072D+02
 Leave Link  716 at Wed Sep  8 13:50:38 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.214286D+03 -0.144921D+01  0.161435D+01
      2  -0.144921D+01  0.138388D+03 -0.775976D+01
      3   0.161435D+01 -0.775976D+01  0.153589D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.108664D+02 -0.812680D+01  0.227369D+02
      2   0.307183D+01 -0.843177D+01  0.483308D+02
      3  -0.120467D+03 -0.306117D+02  0.153665D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.153886D+03  0.508214D+02 -0.255018D+02
      2  -0.887173D+02 -0.269698D+02  0.366756D+02
      3  -0.651685D+02 -0.238516D+02 -0.111738D+02
      4  -0.287718D+02  0.628528D+02 -0.178585D+02
      5  -0.279810D+02 -0.248750D+02  0.107766D+03
      6   0.560510D+00  0.221189D+02 -0.280836D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128056D+02  0.428093D+00  0.668736D+00  0.619117D+01  0.227972D+01
      2   0.428093D+00  0.104810D+01 -0.157623D+00  0.227972D+01  0.182840D+01
      3   0.668736D+00 -0.157623D+00  0.120122D+01 -0.517882D+00 -0.274581D+01
                 6             7             8             9            10 
      1  -0.517882D+00 -0.104170D+02  0.448698D+00 -0.376569D+00  0.335631D+02
      2  -0.274581D+01  0.448698D+00 -0.125855D+01 -0.967311D+00  0.167450D+01
      3  -0.231478D+01 -0.376569D+00 -0.967311D+00 -0.173230D+01 -0.158652D+01
                11            12            13            14            15 
      1   0.167450D+01 -0.158652D+01 -0.300415D+00  0.407385D+01  0.126911D+01
      2   0.182332D+01 -0.803501D+00  0.407385D+01 -0.123133D+01 -0.157212D+00
      3  -0.803501D+00  0.285864D+01  0.126911D+01 -0.157212D+00 -0.884062D+00
                16            17            18            19            20 
      1  -0.492179D+01  0.139842D+01  0.137743D+01  0.100670D+02 -0.588302D+00
      2   0.139842D+01 -0.272086D-01 -0.104490D+01 -0.588302D+00 -0.912013D+00
      3   0.137743D+01 -0.104490D+01 -0.429314D+00 -0.627415D+00 -0.356068D+00
                21            22            23            24            25 
      1  -0.627415D+00  0.444417D+01 -0.168776D+01 -0.116247D+01 -0.149860D+02
      2  -0.356068D+00 -0.168776D+01  0.259740D+01 -0.213275D+01  0.313014D+00
      3  -0.289738D+01 -0.116247D+01 -0.213275D+01 -0.969543D+00  0.529899D+00
                26            27            28            29            30 
      1   0.313014D+00  0.529899D+00 -0.313821D+02  0.221908D+00  0.126752D+01
      2  -0.797139D+00 -0.845271D+00  0.221908D+00 -0.148746D+01  0.218566D+00
      3  -0.845271D+00 -0.136246D+01  0.126752D+01  0.218566D+00 -0.262255D+01
                31            32            33            34            35 
      1   0.290804D+01 -0.497922D+01 -0.155068D+01  0.329094D+01 -0.152890D+01
      2  -0.497922D+01  0.856888D+00  0.458830D+00 -0.152890D+01 -0.720372D-01
      3  -0.155068D+01  0.458830D+00  0.681646D-01 -0.822253D+00 -0.698391D+00
                36            37            38            39            40 
      1  -0.822253D+00  0.150774D+02 -0.893843D+00 -0.122635D+01 -0.445320D+01
      2  -0.698391D+00 -0.893843D+00 -0.197244D+01  0.132374D+01 -0.189890D+01
      3   0.831019D+00 -0.122635D+01  0.132374D+01 -0.159461D+01 -0.136842D-01
                41            42            43            44            45 
      1  -0.189890D+01 -0.136842D-01  0.122610D+02 -0.217042D+01  0.449736D+00
      2  -0.253175D+01  0.236361D+01 -0.217042D+01  0.138238D+01  0.132510D+01
      3   0.236361D+01  0.220113D+01  0.449736D+00  0.132510D+01  0.147339D+01
                46            47            48            49            50 
      1  -0.114137D+02  0.925266D+00  0.101667D+01 -0.237502D+01  0.153574D+01
      2   0.925266D+00  0.127118D+01 -0.585685D+00  0.153574D+01 -0.365268D+01
      3   0.101667D+01 -0.585685D+00  0.308816D+01  0.202613D+01  0.207533D+01
                51            52            53            54            55 
      1   0.202613D+01  0.148208D+02  0.138877D+01 -0.927918D+00 -0.172535D+02
      2   0.207533D+01  0.138877D+01 -0.145366D+00  0.143424D+01 -0.302866D+01
      3   0.861392D+00 -0.927918D+00  0.143424D+01  0.783096D+00 -0.345699D+00
                56            57            58            59            60 
      1  -0.302866D+01 -0.345699D+00 -0.788982D+01 -0.727624D+01 -0.348398D+00
      2  -0.391315D+01  0.204154D-01 -0.727624D+01  0.597880D+00 -0.204593D+01
      3   0.204154D-01 -0.155368D+01 -0.348398D+00 -0.204593D+01  0.178920D+01
                61            62            63            64            65 
      1  -0.170472D+01 -0.592437D+00 -0.322138D+01 -0.367629D+01  0.460131D+01
      2  -0.592437D+00 -0.268978D+01  0.287037D+01  0.460131D+01  0.301586D+01
      3  -0.322138D+01  0.287037D+01  0.494742D+01  0.254431D+01 -0.291554D+00
                66            67            68            69            70 
      1   0.254431D+01  0.147015D+02  0.534391D+01 -0.117095D+00  0.614458D+01
      2  -0.291554D+00  0.534391D+01  0.162153D+01  0.333883D+01  0.764187D+00
      3   0.568429D+00 -0.117095D+00  0.333883D+01 -0.248668D+01  0.520853D-01
                71            72            73            74            75 
      1   0.764187D+00  0.520853D-01  0.258227D+01 -0.348395D+01 -0.260029D+01
      2   0.343010D+01 -0.224220D+01 -0.348395D+01 -0.340743D+01 -0.829985D-01
      3  -0.224220D+01 -0.434034D+01 -0.260029D+01 -0.829985D-01 -0.138672D+01
                76            77            78            79            80 
      1  -0.543932D+01 -0.457753D+01 -0.143399D+00 -0.303859D+01  0.153792D+00
      2  -0.457753D+01 -0.987016D+00 -0.447455D+01  0.153792D+00 -0.327102D+01
      3  -0.143399D+00 -0.447455D+01  0.264719D+01 -0.307648D+00  0.231094D+01
                81            82            83            84            85 
      1  -0.307648D+00  0.294503D+01 -0.396034D+01 -0.149475D+01 -0.577695D+01
      2   0.231094D+01 -0.396034D+01 -0.377881D+01  0.303414D+00 -0.385545D+01
      3   0.245178D+01 -0.149475D+01  0.303414D+00 -0.809396D+00 -0.149450D+00
                86            87            88            89            90 
      1  -0.385545D+01 -0.149450D+00 -0.227453D+01 -0.917351D+00 -0.585910D+00
      2  -0.255863D+01 -0.248446D+01 -0.917351D+00 -0.324940D+01  0.170793D+01
      3  -0.248446D+01  0.275046D+01 -0.585910D+00  0.170793D+01  0.628166D+01
                91            92            93            94            95 
      1   0.646050D+01  0.258944D+01  0.339494D+00 -0.153294D+01  0.647035D+01
      2   0.258944D+01  0.188189D+01  0.106889D+01  0.647035D+01 -0.423717D+01
      3   0.339494D+00  0.106889D+01  0.140707D+01  0.201469D+01 -0.335863D+00
                96            97            98            99           100 
      1   0.201469D+01  0.377314D+01  0.196995D+01  0.192699D+01  0.360625D+01
      2  -0.335863D+00  0.196995D+01  0.180217D+01  0.198903D+01 -0.239451D+01
      3   0.141017D+01  0.192699D+01  0.198903D+01 -0.440645D+01  0.163479D+01
               101           102           103           104           105 
      1  -0.239451D+01  0.163479D+01 -0.282300D+01 -0.600077D+00 -0.143057D+01
      2   0.682962D+00 -0.974444D+00 -0.600077D+00  0.393984D+01  0.291793D+00
      3  -0.974444D+00  0.377808D+00 -0.143057D+01  0.291793D+00 -0.205483D+01
               106           107           108           109           110 
      1   0.365142D+01 -0.320587D+01  0.128814D+01 -0.599663D+01  0.246213D+01
      2  -0.320587D+01  0.266117D+01 -0.258883D+01  0.246213D+01 -0.172663D+01
      3   0.128814D+01 -0.258883D+01  0.277317D+01 -0.346615D+01  0.731068D+00
               111           112           113           114           115 
      1  -0.346615D+01  0.410788D+01 -0.275902D+01  0.129505D+01 -0.971205D+01
      2   0.731068D+00 -0.275902D+01  0.279108D+01 -0.224710D+01  0.381686D+01
      3  -0.183000D+01  0.129505D+01 -0.224710D+01  0.219846D+01 -0.315833D+01
               116           117           118           119           120 
      1   0.381686D+01 -0.315833D+01  0.985829D+00  0.604860D-01  0.119843D+01
      2  -0.491794D+01  0.215698D+01  0.604860D-01  0.210691D+01  0.506983D+00
      3   0.215698D+01 -0.733621D+01  0.119843D+01  0.506983D+00  0.295432D+00
               121           122           123           124           125 
      1   0.967181D+00  0.204526D+01  0.204889D+00  0.436744D+01 -0.141935D+01
      2   0.204526D+01 -0.685486D+01  0.446846D+00 -0.141935D+01  0.266113D+01
      3   0.204889D+00  0.446846D+00  0.305473D+00 -0.107062D+01  0.266854D+01
               126           127           128           129           130 
      1  -0.107062D+01  0.190245D+01  0.638296D+00 -0.190005D+01  0.208336D+00
      2   0.266854D+01  0.638296D+00  0.263452D+00 -0.340591D+00  0.169036D+00
      3   0.468670D+01 -0.190005D+01 -0.340591D+00  0.196704D+01 -0.590987D+00
               131           132           133           134           135 
      1   0.169036D+00 -0.590987D+00 -0.227208D+01 -0.917868D+00  0.269523D+01
      2   0.374016D+00 -0.622816D+00 -0.917868D+00 -0.114924D+01  0.157107D+01
      3  -0.622816D+00  0.207158D+01  0.269523D+01  0.157107D+01 -0.716742D+01
               136           137           138           139           140 
      1  -0.352873D+01  0.106030D+01 -0.184888D+01  0.163069D+01 -0.615478D+00
      2   0.106030D+01 -0.744385D+00  0.637128D+00 -0.615478D+00  0.652846D+00
      3  -0.184888D+01  0.637128D+00 -0.175681D+01  0.114938D+01 -0.664947D+00
               141           142           143           144           145 
      1   0.114938D+01 -0.223970D+01  0.919810D+00 -0.245756D+01 -0.200400D+01
      2  -0.664947D+00  0.919810D+00 -0.121756D+01  0.146106D+01 -0.661478D+00
      3   0.174339D+01 -0.245756D+01  0.146106D+01 -0.445387D+01  0.206713D+01
               146           147           148           149           150 
      1  -0.661478D+00  0.206713D+01 -0.382069D+00 -0.208993D+00  0.668289D+00
      2  -0.331195D+00  0.647549D+00 -0.208993D+00 -0.665447D+00  0.918188D+00
      3   0.647549D+00 -0.225752D+01  0.668289D+00  0.918188D+00 -0.238223D+01
               151           152           153           154           155 
      1   0.199936D+01  0.104709D+01 -0.268548D+01  0.345542D+01 -0.114137D+01
      2   0.104709D+01  0.162897D+01 -0.249804D+01 -0.114137D+01  0.100080D+01
      3  -0.268548D+01 -0.249804D+01  0.750084D+01  0.245335D+01 -0.110532D+01
               156           157           158           159           160 
      1   0.245335D+01 -0.224077D+01  0.888096D+00 -0.144020D+01  0.246147D+01
      2  -0.110532D+01  0.888096D+00 -0.102577D+01  0.102287D+01 -0.128551D+01
      3   0.214546D+01 -0.144020D+01  0.102287D+01 -0.204016D+01  0.282520D+01
               161           162           163           164           165 
      1  -0.128551D+01  0.282520D+01  0.178971D+01 -0.366553D+00 -0.168305D+01
      2   0.176923D+01 -0.218158D+01 -0.366553D+00  0.902239D+00  0.447658D+00
      3  -0.218158D+01  0.475048D+01 -0.168305D+01  0.447658D+00  0.134754D+01
               166           167           168           169           170 
      1   0.140722D+01  0.152821D+01  0.482532D+00 -0.487591D+01  0.740594D+00
      2   0.152821D+01 -0.114306D+01 -0.126238D+01  0.740594D+00 -0.184698D+01
      3   0.482532D+00 -0.126238D+01 -0.134064D+01  0.308140D+01 -0.255512D+01
               171           172           173           174           175 
      1   0.308140D+01  0.369014D+01 -0.188441D+01  0.104366D+01 -0.274212D+01
      2  -0.255512D+01 -0.188441D+01  0.239692D+01 -0.372190D+00  0.334791D+01
      3  -0.680989D+01  0.104366D+01 -0.372190D+00  0.675201D+00 -0.547350D+00
               176           177           178           179           180 
      1   0.334791D+01 -0.547350D+00  0.477298D+01 -0.935671D+00  0.116649D+01
      2  -0.568450D+01  0.140992D+01 -0.935671D+00  0.273297D+01 -0.157389D+01
      3   0.140992D+01 -0.109664D+01  0.116649D+01 -0.157389D+01  0.887123D+00
               181           182           183           184           185 
      1   0.136082D+02 -0.155876D+01 -0.176957D+01 -0.369917D+01  0.115387D+01
      2  -0.155876D+01  0.120459D+01  0.227660D+00  0.115387D+01 -0.105901D+01
      3  -0.176957D+01  0.227660D+00  0.148306D+01  0.171851D+00 -0.723023D+00
               186           187           188           189           190 
      1   0.171851D+00 -0.261107D+01 -0.587241D-02  0.202767D+01  0.438591D+01
      2  -0.723023D+00 -0.587241D-02 -0.802567D+00  0.615116D-01  0.315459D+01
      3  -0.113171D+00  0.202767D+01  0.615116D-01 -0.343809D+00  0.229008D+01
               191           192           193           194           195 
      1   0.315459D+01  0.229008D+01  0.396715D+01  0.388401D+01  0.196555D+01
      2   0.289646D+01  0.129055D+01  0.388401D+01  0.500654D+01  0.262481D+01
      3   0.129055D+01  0.190546D+01  0.196555D+01  0.262481D+01  0.211524D+01
               196           197           198           199           200 
      1   0.125662D+01  0.917885D+00  0.157913D+01  0.135048D+01 -0.723885D+00
      2   0.917885D+00  0.134516D+01  0.121994D+01 -0.723885D+00  0.132343D+01
      3   0.157913D+01  0.121994D+01  0.132539D+01  0.160170D+01 -0.673800D+00
               201           202           203           204           205 
      1   0.160170D+01 -0.149137D+01  0.136983D+01 -0.130585D+01  0.156973D+01
      2  -0.673800D+00  0.136983D+01 -0.350994D+01  0.266723D+01 -0.700364D+00
      3   0.152840D+01 -0.130585D+01  0.266723D+01 -0.359866D+01  0.153233D+01
               206           207           208           209           210 
      1  -0.700364D+00  0.153233D+01 -0.655715D+01  0.436409D+00  0.725056D+00
      2   0.209364D+01 -0.215189D+01  0.436409D+00 -0.122321D+01 -0.787285D+00
      3  -0.215189D+01  0.381780D+01  0.725056D+00 -0.787285D+00 -0.199781D+01
               211           212           213           214           215 
      1   0.793754D+00 -0.539530D+00 -0.541234D+00  0.102241D+01 -0.309554D+00
      2  -0.539530D+00  0.917654D+00  0.903806D+00 -0.309554D+00  0.684507D+00
      3  -0.541234D+00  0.903806D+00  0.455282D+00 -0.832424D+00  0.186672D+00
               216           217           218           219           220 
      1  -0.832424D+00 -0.656300D+01  0.653088D+00  0.706637D+00  0.998900D+00
      2   0.186672D+00  0.653088D+00 -0.222109D+01  0.345960D+00 -0.105683D+01
      3   0.115122D+01  0.706637D+00  0.345960D+00 -0.107506D+01  0.134989D+00
               221           222           223           224           225 
      1  -0.105683D+01  0.134989D+00  0.972309D+00 -0.425477D-01 -0.520671D+00
      2   0.156425D+01  0.184148D+00 -0.425477D-01  0.746084D+00  0.151235D+00
      3   0.184148D+00  0.165644D+00 -0.520671D+00  0.151235D+00 -0.356837D+00
               226           227           228           229           230 
      1   0.315947D+00  0.415430D+00 -0.111233D+01  0.326034D-02  0.358586D+00
      2   0.415430D+00  0.568725D+00 -0.943352D-01  0.358586D+00 -0.805284D-01
      3  -0.111233D+01 -0.943352D-01  0.961879D+00  0.442520D-01 -0.666661D+00
               231           232           233           234           235 
      1   0.442520D-01 -0.148436D+01 -0.327081D+00  0.129139D+01  0.385542D+01
      2  -0.666661D+00 -0.327081D+00 -0.130363D+01  0.472406D+00  0.376364D+01
      3  -0.112740D+01  0.129139D+01  0.472406D+00 -0.898257D+01 -0.444551D-02
               236           237           238           239           240 
      1   0.376364D+01 -0.444551D-02  0.350143D+01  0.441471D+01 -0.135671D+00
      2   0.415682D+01 -0.229452D+00  0.441471D+01  0.734300D+01 -0.262159D-01
      3  -0.229452D+00  0.958451D+00 -0.135671D+00 -0.262159D-01  0.701487D+00
               241           242           243           244           245 
      1   0.107726D+01  0.802058D+00  0.838182D+00  0.361594D+00 -0.939474D+00
      2   0.802058D+00  0.164752D+01  0.707732D+00 -0.939474D+00 -0.446285D+00
      3   0.838182D+00  0.707732D+00 -0.153274D+00  0.135667D+01  0.956287D-01
               246           247           248           249           250 
      1   0.135667D+01 -0.132556D+01 -0.964543D+00  0.199490D+00  0.251306D+01
      2   0.956287D-01 -0.964543D+00 -0.598381D+00  0.112997D+01  0.273196D+00
      3  -0.115112D+01  0.199490D+00  0.112997D+01 -0.124796D+01 -0.194514D+01
               251           252           253           254           255 
      1   0.273196D+00 -0.194514D+01  0.855842D+01 -0.491845D+00 -0.182563D+01
      2   0.151279D+01 -0.113599D+01 -0.491845D+00 -0.357114D+01 -0.802705D+00
      3  -0.113599D+01  0.611688D+01 -0.182563D+01 -0.802705D+00 -0.106392D+01
               256           257           258           259           260 
      1  -0.556550D+01 -0.375254D+01 -0.128839D+01 -0.696861D+01 -0.169564D+01
      2  -0.375254D+01  0.426858D+01 -0.120382D+01 -0.169564D+01 -0.247637D+01
      3  -0.128839D+01 -0.120382D+01 -0.179891D+01 -0.151418D+01 -0.138581D+01
               261           262           263           264           265 
      1  -0.151418D+01 -0.951856D+00  0.150842D+01  0.544802D+00  0.152742D+01
      2  -0.138581D+01  0.150842D+01 -0.205558D+01 -0.531094D+00 -0.303293D+01
      3   0.383288D+01  0.544802D+00 -0.531094D+00 -0.427680D+00 -0.652095D+00
               266           267           268           269           270 
      1  -0.303293D+01 -0.652095D+00 -0.232822D+00  0.537445D+00 -0.220161D+00
      2   0.104457D+02  0.220045D+01  0.537445D+00 -0.144869D+01  0.610805D+00
      3   0.220045D+01  0.182290D+01 -0.220161D+00  0.610805D+00  0.606156D+00
               271           272           273           274           275 
      1  -0.158745D+02 -0.198609D+01  0.280448D+00  0.854855D+00 -0.110985D+01
      2  -0.198609D+01 -0.137517D+01 -0.134196D+00 -0.110985D+01 -0.513017D+00
      3   0.280448D+00 -0.134196D+00 -0.102816D+01  0.126370D+00  0.224653D+00
               276           277           278           279           280 
      1   0.126370D+00  0.264090D+01  0.534309D+00 -0.124253D+01 -0.703080D-01
      2   0.224653D+00  0.534309D+00  0.652881D+00 -0.891350D-02 -0.782004D+00
      3   0.264965D+00 -0.124253D+01 -0.891350D-02  0.589921D-01  0.309652D+00
               281           282           283           284           285 
      1  -0.782004D+00  0.309652D+00 -0.142402D+01 -0.271025D+00 -0.210171D-01
      2   0.214575D+01  0.261710D+00 -0.271025D+00 -0.856467D+01 -0.228999D-01
      3   0.261710D+00  0.396600D+00 -0.210171D-01 -0.228999D-01 -0.857199D+00
               286           287           288           289           290 
      1   0.106221D+01  0.355373D+00  0.372540D-01 -0.483669D+00  0.292180D+00
      2   0.355373D+00  0.126777D+01 -0.778323D+00  0.292180D+00  0.476590D+00
      3   0.372540D-01 -0.778323D+00 -0.127504D+00 -0.558013D+00  0.195924D+00
               291           292           293           294           295 
      1  -0.558013D+00  0.124833D+01  0.322818D+00  0.203848D+00 -0.191837D+01
      2   0.195924D+00  0.322818D+00  0.921883D-01 -0.444845D+00 -0.327029D+00
      3   0.286563D+00  0.203848D+00 -0.444845D+00  0.740749D+00 -0.809792D+00
               296           297 
      1  -0.327029D+00 -0.809792D+00
      2  -0.134500D+01 -0.249105D+00
      3  -0.249105D+00 -0.627376D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.303783D+01 -0.232187D+01  0.188550D+01 -0.802962D+01 -0.221480D+01
      2   0.415659D+01 -0.247458D+01  0.927580D+01 -0.286884D+01  0.253400D+01
      3   0.220641D+02 -0.183021D+01  0.293416D+01  0.654699D+01 -0.211084D+01
                 6             7             8             9            10 
      1  -0.228861D+01 -0.484733D+00  0.184454D+01 -0.367608D-02 -0.479701D+01
      2  -0.350530D+01 -0.390887D+01 -0.103187D+01  0.262636D+01 -0.218794D+00
      3   0.267635D+01  0.165792D+02  0.159077D+00  0.250815D+01 -0.417321D+02
                11            12            13            14            15 
      1  -0.526328D+00  0.110363D+01  0.279441D+01  0.421399D+01 -0.913012D+01
      2   0.941015D+00 -0.283528D+01  0.573862D+01  0.413193D-01  0.216568D+00
      3  -0.174197D+01  0.122962D+01  0.109790D+02 -0.171237D+01 -0.773518D+00
                16            17            18            19            20 
      1  -0.437079D+01 -0.164404D+01 -0.458485D+01 -0.105337D+01  0.130308D+01
      2  -0.252493D+02 -0.181549D+01 -0.331671D+01 -0.521859D+01 -0.209867D+01
      3   0.923607D+00 -0.149396D+01 -0.545532D+00 -0.142722D+02 -0.133080D+01
                21            22            23            24            25 
      1  -0.150764D+01  0.584164D+01 -0.222318D+01 -0.345631D+01  0.585999D+01
      2   0.374797D+01 -0.437048D+01 -0.245126D+01  0.965462D+00 -0.757981D+00
      3   0.300494D+01  0.769001D+01  0.157255D+01 -0.247047D+01  0.219535D+02
                26            27            28            29            30 
      1   0.103547D+01 -0.190626D+01  0.299307D+01  0.832910D+00 -0.343158D+01
      2   0.494003D+00 -0.237565D+01  0.451182D-01  0.260906D+01 -0.404758D+01
      3  -0.135349D+01 -0.477591D+01  0.347715D+02  0.512078D-01 -0.337073D+01
                31            32            33            34            35 
      1  -0.185664D+01  0.462412D+01 -0.870165D+01 -0.639094D+01 -0.413662D+00
      2   0.634179D+01 -0.612502D+00  0.254360D+01 -0.278243D+02  0.406089D+01
      3   0.817877D+01  0.545991D+01  0.100766D+01 -0.814236D+01 -0.214937D+01
                36            37            38            39            40 
      1  -0.298022D+01 -0.429249D+01 -0.125809D+00 -0.116421D+01 -0.514872D+01
      2   0.343153D-01  0.215535D+00 -0.276309D+01  0.805108D+01 -0.445214D+01
      3   0.275578D+01 -0.180042D+02  0.126122D+00  0.310299D+01  0.151567D+02
                41            42            43            44            45 
      1   0.190498D+01  0.112174D+01 -0.243504D+01  0.362229D+01  0.247256D+01
      2   0.196947D+01 -0.243940D+01 -0.596131D+01 -0.999219D+00  0.202240D+01
      3   0.725470D-01  0.212842D+01 -0.128255D+02  0.478927D+01  0.147087D+01
                46            47            48            49            50 
      1   0.340139D+01  0.108494D+01  0.308123D+01  0.100274D+02  0.142146D+01
      2  -0.203184D+01 -0.213830D+01  0.371955D+01 -0.418031D+01 -0.191227D+01
      3   0.177561D+02 -0.230495D+01 -0.102758D+01  0.134110D+02  0.138255D+01
                51            52            53            54            55 
      1  -0.233159D+01  0.230019D+01  0.325345D+01  0.342113D-01  0.252984D+01
      2   0.103506D+01 -0.280788D+01  0.758716D+00 -0.605506D+00 -0.795612D+01
      3  -0.536233D+01 -0.154923D+02 -0.181180D+01 -0.139861D+01  0.291033D+02
                56            57            58            59            60 
      1   0.174055D+01 -0.657561D-01  0.438244D+01 -0.321087D+01  0.284320D+01
      2  -0.781652D+00 -0.278735D+01 -0.463922D+01 -0.124176D+02  0.817352D+01
      3   0.133643D+02 -0.457678D-01  0.433675D+02  0.865387D+01  0.813327D+01
                61            62            63            64            65 
      1  -0.347320D+00  0.800942D+01  0.451915D+01 -0.222412D+01 -0.578546D-01
      2  -0.208767D+02  0.952252D+01  0.166013D+02  0.127530D+02 -0.213229D+00
      3   0.404222D+01  0.108872D+02 -0.515567D+01 -0.305978D+02 -0.163836D+02
                66            67            68            69            70 
      1  -0.813697D+00 -0.375869D+01 -0.245397D+01 -0.287928D+01  0.268839D+01
      2   0.591335D+01  0.525861D+01  0.160499D+02 -0.115944D+02 -0.147034D+01
      3   0.186476D+01 -0.301041D+02 -0.853725D+01 -0.136116D+02 -0.683038D+01
                71            72            73            74            75 
      1   0.520373D+01  0.196508D+01 -0.191980D+01 -0.631161D+01  0.719605D+00
      2  -0.967140D+01 -0.180015D+02 -0.187179D+02  0.527200D+01  0.336270D+01
      3  -0.149137D+02  0.734604D+01  0.184280D+02  0.973659D+01 -0.253925D+01
                76            77            78            79            80 
      1  -0.929702D+01  0.192103D+01 -0.142004D+02  0.495508D+00 -0.693739D+01
      2   0.645197D+01 -0.112047D+02  0.114778D+02  0.344059D+01  0.972253D+01
      3   0.185845D+02  0.135585D+01  0.174139D+02 -0.262731D+01  0.130548D+02
                81            82            83            84            85 
      1   0.295721D+01  0.634121D+01  0.410079D+01  0.145168D+01  0.592463D+01
      2   0.119155D+02 -0.247113D+00 -0.375333D+01 -0.228564D+01 -0.697796D+01
      3  -0.937777D+01  0.257290D+02  0.417064D+01 -0.252234D+01  0.800857D+01
                86            87            88            89            90 
      1   0.916158D+01 -0.461503D+01  0.318325D+01  0.332917D+01 -0.162936D+02
      2  -0.140529D+02  0.108046D+02 -0.579097D+01  0.653441D+01  0.216865D+02
      3   0.172381D+01  0.101622D+02  0.731668D+00  0.116259D+02 -0.659773D+01
                91            92            93            94            95 
      1   0.118996D+00  0.343733D+00  0.219856D+01  0.246149D+01 -0.204393D+01
      2  -0.484174D+01 -0.386468D+01 -0.601828D-01 -0.430243D+01 -0.202533D+01
      3  -0.407175D+01  0.160610D+00  0.348126D+01  0.363910D+02 -0.193169D+02
                96            97            98            99           100 
      1  -0.336721D+01  0.291151D+01  0.517596D+01 -0.143303D+01 -0.608754D+00
      2  -0.663924D+01 -0.163672D+02 -0.655584D+01  0.157135D+02  0.259265D+01
      3  -0.234904D+01  0.288505D+01  0.398938D+01  0.515039D+01  0.125198D+02
               101           102           103           104           105 
      1  -0.570638D+01 -0.555106D+01  0.539189D+00 -0.117171D+00  0.301809D+01
      2   0.372607D+01  0.501985D+01  0.199716D+01  0.120746D+01  0.138625D+02
      3  -0.126901D+02 -0.564181D+01 -0.604649D+01  0.489368D+01  0.319588D+01
               106           107           108           109           110 
      1  -0.778325D+01  0.177171D+00 -0.413598D+01  0.440859D+01  0.281547D+01
      2  -0.423660D+01  0.104859D+02 -0.165860D+02  0.834847D+01 -0.261051D+01
      3  -0.142723D+02  0.165676D+02 -0.646229D+01 -0.345715D+00 -0.522890D+01
               111           112           113           114           115 
      1   0.422651D+01 -0.813356D+00  0.861386D-01 -0.726159D+01  0.487555D+01
      2   0.861645D+01 -0.326425D+00  0.719192D+01 -0.107900D+02  0.393321D+01
      3   0.735074D+00 -0.600646D+01  0.124031D+02 -0.756918D+01  0.159313D+02
               116           117           118           119           120 
      1   0.484203D+01  0.118063D+02 -0.382258D+01  0.275564D+01  0.202059D+00
      2  -0.653105D+01  0.291170D+02 -0.523628D+01 -0.132141D+01 -0.467195D-01
      3  -0.211047D+02  0.587560D+01 -0.173485D+01  0.663508D+01  0.445601D+01
               121           122           123           124           125 
      1   0.405731D+00 -0.559600D+01 -0.282371D+01 -0.226583D+01  0.759277D+01
      2  -0.286182D+01 -0.322679D+01 -0.196803D+01 -0.127939D+01 -0.781171D+01
      3   0.698127D+01 -0.179063D+02  0.178018D+01 -0.297319D+01  0.791077D+01
               126           127           128           129           130 
      1  -0.677428D+01 -0.233269D+01 -0.202842D+01  0.113829D+01 -0.445012D+00
      2  -0.146519D+02  0.456195D+01  0.126273D+01 -0.129475D+01  0.376925D+00
      3   0.846885D+01 -0.441987D+00 -0.884147D+00  0.824511D+00  0.721758D+00
               131           132           133           134           135 
      1  -0.137373D+01  0.271893D-01  0.339618D+01  0.540810D+01 -0.545043D+01
      2  -0.445774D-01  0.431637D+00 -0.508545D+01 -0.665899D+00 -0.194838D+01
      3  -0.368798D+00  0.292382D+00  0.107596D+01  0.217531D+01 -0.171446D+01
               136           137           138           139           140 
      1  -0.257039D+01  0.311423D+01 -0.853995D+00  0.108119D+01 -0.130787D+01
      2  -0.811239D+01  0.189916D+01 -0.118880D+01  0.222226D+01 -0.577997D+00
      3   0.483398D+00 -0.147765D+01  0.796623D+00  0.274738D+00  0.134688D+01
               141           142           143           144           145 
      1  -0.384370D+00 -0.209271D+01  0.408692D+01 -0.278707D+01  0.192960D+01
      2   0.239170D+00 -0.422144D+01  0.736536D+00  0.470339D+00  0.414118D+01
      3  -0.432484D+00  0.581699D+00 -0.246361D+01  0.171922D+01  0.283814D+01
               146           147           148           149           150 
      1  -0.862675D+00 -0.251618D+01  0.993401D+00  0.493345D-01 -0.366250D+01
      2   0.434439D+00 -0.115560D+01  0.370613D+00 -0.164037D+00  0.514422D+00
      3   0.131182D+00 -0.224481D+01  0.149693D+01 -0.264942D+00 -0.598249D+00
               151           152           153           154           155 
      1  -0.186793D+01  0.197899D+01  0.606314D+01  0.290113D+01  0.119726D+01
      2  -0.453385D+01 -0.492363D+00 -0.697226D+00 -0.465153D+01  0.117385D+00
      3  -0.253248D+01  0.548022D+00  0.235216D+01 -0.550719D+01 -0.947750D+00
               156           157           158           159           160 
      1   0.266587D+01 -0.192496D+01  0.254678D+00 -0.371137D+01  0.287403D+01
      2  -0.319469D+00  0.175612D+01  0.215793D+00 -0.114229D+01 -0.235444D+01
      3  -0.257643D+01  0.450762D+01  0.535002D+00  0.917720D+00 -0.311507D+01
               161           162           163           164           165 
      1   0.105323D+01  0.478869D+01 -0.127967D+01 -0.519688D+00  0.135717D+01
      2  -0.369538D+00  0.194284D+01 -0.589318D+01  0.779612D+00  0.523343D+01
      3  -0.137590D+01 -0.186222D+01 -0.155759D+01 -0.395260D+01  0.796182D+00
               166           167           168           169           170 
      1  -0.343034D+00 -0.126783D+00 -0.199458D+01  0.268335D+01  0.103306D+01
      2   0.192052D+01 -0.314987D+01 -0.467678D+01  0.544354D+01 -0.886394D+01
      3  -0.544729D+01  0.206751D+01  0.300732D+01  0.363172D+01  0.553645D+01
               171           172           173           174           175 
      1  -0.720512D+01  0.171422D+01 -0.146376D+01  0.174913D+01 -0.248665D+01
      2  -0.225959D+02  0.673937D+01 -0.249685D+01  0.467038D+01 -0.313052D+01
      3   0.407741D+01  0.220821D+01 -0.719855D+01  0.982410D-01 -0.580929D+01
               176           177           178           179           180 
      1   0.418220D+01 -0.468850D+01  0.156786D+01 -0.221051D+01  0.285030D+01
      2   0.744310D+01 -0.536530D+01  0.429182D+01 -0.645150D+01  0.384136D+01
      3   0.155127D+02 -0.385184D+01 -0.316573D+01 -0.873537D+01  0.367697D+01
               181           182           183           184           185 
      1   0.263485D+00 -0.581195D+00 -0.234641D+00  0.149989D+00  0.521541D+00
      2  -0.386460D+01  0.650247D+00  0.925861D+01 -0.534115D+00 -0.326046D+01
      3   0.581926D+01 -0.863878D+01 -0.965981D+00 -0.148606D+01  0.483271D+01
               186           187           188           189           190 
      1  -0.927599D+00 -0.426073D+00  0.105945D+01 -0.167988D+00  0.349622D+01
      2  -0.147079D+00  0.622918D+01  0.380115D+00 -0.738996D+00  0.254921D+01
      3   0.346425D+01  0.797931D+00  0.428777D+01 -0.675282D+00 -0.948648D+01
               191           192           193           194           195 
      1   0.509955D+01 -0.439032D+00  0.568318D+01  0.729644D+01  0.299714D+00
      2   0.366806D+00  0.621096D+01  0.161438D+00  0.498235D+01  0.709554D+01
      3  -0.115565D+02 -0.373589D+01 -0.108506D+02 -0.190166D+02 -0.946994D+01
               196           197           198           199           200 
      1   0.111851D+01  0.284994D+01  0.743868D+00 -0.249834D+01  0.321710D+01
      2   0.252270D+01  0.300746D+01  0.332897D+01  0.554905D+01 -0.139000D+01
      3  -0.182037D+01 -0.531405D+01 -0.399795D+01  0.266611D+01 -0.611679D+01
               201           202           203           204           205 
      1  -0.188921D+01  0.288918D+01 -0.997044D+01  0.533648D+01 -0.215345D+01
      2   0.470144D+01 -0.136774D+01  0.918998D+01 -0.137576D+02  0.132560D+01
      3   0.323370D+01 -0.351690D+01  0.152697D+02 -0.104574D+02  0.260958D+01
               206           207           208           209           210 
      1   0.768864D+01 -0.566444D+01 -0.176311D+01 -0.262376D+01  0.121211D+01
      2  -0.801228D+01  0.132364D+02  0.204224D+02 -0.337939D+01 -0.808074D+01
      3  -0.882213D+01  0.879517D+01 -0.968532D+01  0.327617D+01  0.391948D+01
               211           212           213           214           215 
      1  -0.121720D+01  0.316413D+00  0.273038D-01  0.115347D+01  0.209496D+01
      2  -0.279187D+01  0.509852D+01  0.227834D+01 -0.860054D+01  0.112806D+01
      3   0.408431D+01 -0.315687D+01 -0.361833D+01  0.219648D+01 -0.219327D+01
               216           217           218           219           220 
      1  -0.248549D+00 -0.945681D+00  0.203031D+01  0.259038D+01  0.107992D+01
      2   0.535905D+01 -0.746923D+01  0.194238D+01 -0.113261D+01  0.193578D+01
      3  -0.168818D+01 -0.216579D+02  0.714996D+01  0.224634D+00  0.722516D+01
               221           222           223           224           225 
      1  -0.173537D+01 -0.107291D+01  0.177231D+01  0.452541D+00  0.509213D-01
      2  -0.851145D+00 -0.335896D+00 -0.304076D+01 -0.125632D+00 -0.181010D+01
      3  -0.684239D+01 -0.757903D+00  0.160025D+01 -0.284682D+01 -0.169487D+01
               226           227           228           229           230 
      1   0.150417D+01 -0.534721D+00 -0.139482D+01 -0.211239D+00  0.181799D+01
      2  -0.470773D+01 -0.305649D+00  0.282847D+01 -0.576505D+00 -0.204802D+01
      3  -0.258189D+01 -0.236426D+01 -0.985239D+00 -0.312919D+00  0.133072D+01
               231           232           233           234           235 
      1   0.198870D+01 -0.139712D+01  0.456240D+01  0.161888D+02 -0.448600D+01
      2  -0.450512D+01 -0.615170D+00  0.959195D+00 -0.316941D+02  0.386418D+01
      3   0.196974D+01 -0.114562D+01  0.464747D+01 -0.187890D+01 -0.749393D+01
               236           237           238           239           240 
      1  -0.462518D+01 -0.315067D+01 -0.570085D+01 -0.862292D+01 -0.390344D+01
      2   0.270361D+01  0.540783D+01  0.363809D+01  0.426596D+01  0.362164D+01
      3  -0.113358D+02  0.128455D+01 -0.682526D+01 -0.215132D+02  0.323214D-01
               241           242           243           244           245 
      1  -0.241876D+01 -0.191591D+01 -0.951540D+00  0.204101D+00 -0.277666D+00
      2   0.359968D+01  0.301353D+01  0.307726D+00 -0.565883D+01  0.108547D+00
      3  -0.919666D+00 -0.558410D+01 -0.139797D+01 -0.300580D+01 -0.160096D+01
               246           247           248           249           250 
      1  -0.818608D+00 -0.199072D-02 -0.450456D-01 -0.100669D+01 -0.122429D+01
      2   0.379268D+01  0.251272D+00 -0.267486D+01  0.421567D+01  0.122336D+01
      3  -0.462180D+00 -0.593739D+00 -0.107181D+01  0.288447D+01 -0.954347D+00
               251           252           253           254           255 
      1   0.268372D+01  0.322980D+01 -0.197766D+01  0.919247D+00 -0.218349D+01
      2   0.381766D+01 -0.187627D+02  0.157125D+02  0.367981D+01  0.624250D+01
      3   0.376799D+01 -0.221695D+01 -0.173520D+02 -0.151939D+02  0.100830D-01
               256           257           258           259           260 
      1  -0.151150D+01 -0.583032D+01 -0.378365D+01 -0.508746D+00  0.122878D+01
      2   0.485192D+01  0.436343D+01  0.611371D+01  0.428071D+01  0.502795D+01
      3  -0.608612D+01  0.223749D+02 -0.317151D+01  0.127266D+01 -0.617252D+01
               261           262           263           264           265 
      1   0.889491D+01  0.837224D+00 -0.126789D+01  0.668126D+00 -0.263634D+01
      2  -0.188508D+02 -0.786962D+00  0.467292D+00  0.111320D+01  0.279575D+00
      3  -0.467797D+01  0.298489D+01 -0.434603D+01 -0.182469D+01 -0.460021D+01
               266           267           268           269           270 
      1   0.942241D+01 -0.218737D+01  0.352224D+00 -0.102020D+01  0.893526D+00
      2  -0.466298D+01 -0.562857D+01  0.166548D+00 -0.180174D+01 -0.142285D+01
      3   0.312061D+02  0.673141D+01  0.150773D+01 -0.505841D+01  0.176373D+01
               271           272           273           274           275 
      1   0.119917D+01  0.516921D+00 -0.214319D+01  0.882085D+00  0.641701D+00
      2  -0.840956D+01 -0.185984D+00  0.778345D+01 -0.726565D+00 -0.144217D+01
      3   0.161279D+02 -0.580467D+01 -0.117719D+01 -0.429022D+01 -0.345124D+00
               276           277           278           279           280 
      1  -0.876900D-01 -0.212271D+01  0.621445D+00 -0.678501D-01  0.142042D+01
      2  -0.724598D+00  0.474112D+01 -0.268233D+00 -0.342443D+00 -0.113880D+01
      3   0.883642D+00 -0.186121D+01  0.192440D+01  0.197206D+01 -0.482574D+01
               281           282           283           284           285 
      1  -0.651389D+00  0.151626D+01 -0.326168D+00  0.505368D+01 -0.400314D+01
      2  -0.105693D+01 -0.121551D+01 -0.817098D+00  0.128078D+00  0.295134D+01
      3   0.805098D+01 -0.783135D-01  0.473089D+01 -0.307420D+02  0.456965D+00
               286           287           288           289           290 
      1   0.622005D+00 -0.105230D+01  0.397444D+00 -0.172900D+01 -0.585561D+00
      2  -0.153819D+01  0.257999D+01  0.574336D+00  0.431839D+01 -0.357499D-02
      3  -0.110630D+01  0.393294D+01 -0.280429D+01  0.158076D+01  0.883974D+00
               291           292           293           294           295 
      1   0.391682D+00 -0.235349D+00 -0.213964D+01  0.101389D+01 -0.290601D+00
      2  -0.170649D+01  0.137135D+01  0.209814D+01 -0.332084D+01 -0.181951D+01
      3   0.108005D+01  0.780967D+00  0.187209D+00 -0.183767D+01  0.146359D+01
               296           297 
      1   0.349788D+01 -0.110797D+02
      2  -0.375346D-01  0.248164D+02
      3  -0.441107D+01  0.990159D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.173410D+01 -0.760429D+01  0.179150D+02  0.143327D+02 -0.124841D+01
      2   0.858371D+01  0.353387D+01 -0.704605D+01 -0.418948D+01  0.215332D+01
      3  -0.684961D+01  0.407042D+01 -0.108689D+02 -0.101432D+02 -0.904909D+00
      4   0.904102D+00  0.299877D+01 -0.116996D+01  0.894388D+01  0.522039D+01
      5   0.195319D+02 -0.874591D-01 -0.788130D+01 -0.101940D+02 -0.374271D+01
      6  -0.165574D+00 -0.305706D+01  0.127801D+01 -0.149425D+01  0.390696D+01
                 6             7             8             9            10 
      1  -0.186496D+02 -0.234810D+02 -0.919992D+01  0.453690D+01  0.575258D+02
      2   0.233120D+01  0.440016D+01  0.198891D+01  0.454543D+01 -0.288735D+02
      3   0.163184D+02  0.190808D+02  0.721100D+01 -0.908233D+01 -0.286523D+02
      4  -0.431741D+01  0.458852D+01 -0.215298D+01 -0.471397D+01 -0.106066D+02
      5  -0.313014D+01  0.926015D+01 -0.413674D+01  0.598783D+01 -0.115269D+02
      6   0.124624D+02 -0.655397D+01  0.518172D+01  0.139005D+02  0.322103D+01
                11            12            13            14            15 
      1   0.807358D+01 -0.246120D+01  0.146051D+02 -0.262300D+01  0.493118D+01
      2  -0.708642D+01  0.451527D+01 -0.143990D+02  0.769854D+01 -0.447372D+00
      3  -0.987156D+00 -0.205407D+01 -0.206058D+00 -0.507554D+01 -0.448381D+01
      4   0.178158D+01 -0.373566D+01  0.164771D+02 -0.743019D+01 -0.103622D+01
      5  -0.462863D+01  0.998572D+01  0.120559D+02 -0.534631D+00 -0.287544D+01
      6   0.133419D+01 -0.649789D+01 -0.486450D+01  0.426559D+01  0.896626D+01
                16            17            18            19            20 
      1  -0.817013D+01  0.401490D+01 -0.180472D+02 -0.139950D+01  0.438810D+01
      2  -0.110426D+01  0.483530D+01  0.252749D+01 -0.326278D+01 -0.220032D+01
      3   0.927440D+01 -0.885020D+01  0.155197D+02  0.466229D+01 -0.218778D+01
      4   0.121633D+02  0.461957D+00 -0.394486D+01  0.183785D+01 -0.919054D+00
      5  -0.128474D+02 -0.363944D+01 -0.355519D+01 -0.169050D+02  0.327806D+01
      6  -0.621591D+01  0.250302D+01 -0.338918D+01  0.354014D+01  0.430661D+01
                21            22            23            24            25 
      1  -0.221418D+02 -0.101810D+02 -0.506107D+01 -0.488935D+01  0.243312D+02
      2   0.590764D+01 -0.190618D+01  0.597069D+01 -0.112794D+00  0.544384D-01
      3   0.162342D+02  0.120872D+02 -0.909626D+00  0.500214D+01 -0.243856D+02
      4   0.359454D+01  0.316553D+01 -0.106716D+01  0.367553D+01  0.464660D+01
      5  -0.170966D+01  0.152657D+01  0.157199D+01  0.758736D+01  0.124656D+02
      6   0.517248D+01  0.290494D+01  0.220707D+01  0.671948D+01  0.107567D+02
                26            27            28            29            30 
      1  -0.866870D+01  0.635519D+01  0.229856D+02 -0.208392D+01  0.172581D+01
      2   0.177571D+01 -0.229682D+01 -0.401313D+01  0.548506D+01  0.661501D+00
      3   0.689299D+01 -0.405837D+01 -0.189724D+02 -0.340114D+01 -0.238731D+01
      4   0.396510D+01  0.661302D+01  0.252270D+02  0.209631D+01 -0.180897D+01
      5   0.529845D+01 -0.555480D+01  0.546319D+01 -0.136819D+01  0.693057D+01
      6   0.120511D+01  0.993903D+01  0.442087D+01 -0.974510D+00  0.489653D+01
                31            32            33            34            35 
      1  -0.122058D+01 -0.202801D+00  0.688593D+01 -0.708272D+01  0.948025D+01
      2   0.668767D+01  0.439275D+01 -0.230302D+01  0.112371D+01  0.163713D+01
      3  -0.546709D+01 -0.418995D+01 -0.458292D+01  0.595901D+01 -0.111174D+02
      4   0.154491D+02 -0.965975D-01  0.135294D+01  0.105727D+02  0.513423D+01
      5   0.108738D+02  0.499995D+00  0.310288D+00 -0.155112D+02  0.240627D+01
      6  -0.115760D+01  0.365393D+01  0.574339D+01 -0.107344D+01  0.208782D+01
                36            37            38            39            40 
      1  -0.166135D+02  0.508679D+01 -0.109844D+02  0.179913D+02  0.421789D+01
      2   0.246325D+01  0.391131D+00  0.109844D+02 -0.115042D+02  0.466797D+01
      3   0.141503D+02 -0.547792D+01 -0.714524D-04 -0.648711D+01 -0.888586D+01
      4   0.133844D+01 -0.923612D+01 -0.167963D+01  0.348363D+01  0.163030D+02
      5  -0.133579D+01  0.842753D+01  0.228621D+01 -0.112585D+02 -0.221281D+01
      6  -0.694353D+01 -0.119659D+01 -0.531858D+01  0.520821D+01  0.226329D+00
                41            42            43            44            45 
      1  -0.977448D+01 -0.704710D+01 -0.201181D+02 -0.395428D+01  0.828119D+01
      2   0.156947D+02 -0.990917D+01  0.154328D+01 -0.298819D+01 -0.293639D+00
      3  -0.592022D+01  0.169563D+02  0.185748D+02  0.694247D+01 -0.798755D+01
      4   0.680733D+01 -0.241471D+01 -0.216793D+01 -0.252490D+01 -0.679621D+01
      5  -0.119257D+01 -0.115870D+01  0.538481D+01 -0.584398D+01  0.911819D+01
      6  -0.622776D+01  0.467575D+01 -0.103824D+02  0.451165D+00  0.916265D+01
                46            47            48            49            50 
      1  -0.528785D+01  0.866489D+01 -0.206052D+02 -0.257458D+01 -0.140049D+02
      2   0.267955D+01 -0.698892D+01  0.605072D+01 -0.681256D+01  0.226969D+02
      3   0.260830D+01 -0.167598D+01  0.145545D+02  0.938714D+01 -0.869201D+01
      4   0.106880D+02  0.414410D+00  0.560257D+01  0.836979D+01 -0.681811D+01
      5  -0.856609D+01  0.593380D+01 -0.168655D+01  0.108110D+02  0.267174D+01
      6   0.464266D+01  0.378747D+01 -0.418917D+01 -0.179523D+01 -0.559179D+01
                51            52            53            54            55 
      1   0.662527D+01  0.365486D+02 -0.250875D+01  0.999755D+01 -0.361696D+02
      2  -0.120924D+02 -0.119026D+02 -0.480084D+00 -0.608406D+01  0.166192D+02
      3   0.546710D+01 -0.246461D+02  0.298884D+01 -0.391349D+01  0.195504D+02
      4   0.122431D+01 -0.290432D+01 -0.530358D+00  0.758909D+01 -0.621614D+01
      5   0.719180D+01  0.367714D+01  0.701844D+01 -0.526655D+01 -0.362295D+01
      6   0.360854D+01  0.116787D+02 -0.368188D+01  0.689027D+01  0.292096D+00
                56            57            58            59            60 
      1  -0.109103D+02 -0.528082D+01 -0.379356D+02 -0.251867D+02  0.156617D+01
      2   0.794187D+01  0.119269D+00  0.269790D+02  0.532965D+01  0.605596D+01
      3   0.296839D+01  0.516155D+01  0.109566D+02  0.198570D+02 -0.762213D+01
      4  -0.285966D+02  0.670329D+00 -0.487348D+02  0.151313D+02 -0.154822D+02
      5   0.492726D+00 -0.129586D+02 -0.548314D+00 -0.149198D+02  0.143544D+02
      6   0.322540D+00  0.167874D+01  0.292196D-01  0.363762D+01 -0.518138D+01
                61            62            63            64            65 
      1  -0.160076D+02  0.833108D+00 -0.133973D+01 -0.888475D+02  0.309772D+02
      2  -0.202199D+01  0.763787D+01  0.702007D+01  0.485758D+02 -0.141571D+02
      3   0.180296D+02 -0.847098D+01 -0.568035D+01  0.402716D+02 -0.168200D+02
      4  -0.109982D+01 -0.201554D+02  0.259122D+02  0.301430D+02  0.240837D+02
      5  -0.242854D+02  0.226767D+02  0.376898D+02  0.263108D+02 -0.285054D+01
      6   0.116672D+02 -0.523883D+01 -0.117223D+02  0.105010D+01 -0.289095D+01
                66            67            68            69            70 
      1   0.255845D+02  0.686459D+02  0.245055D+02 -0.828643D+01  0.386897D+02
      2  -0.143937D+02 -0.323260D+02 -0.115510D+02  0.821672D+01 -0.158916D+02
      3  -0.111908D+02 -0.363200D+02 -0.129546D+02  0.697166D-01 -0.227981D+02
      4  -0.154752D+01  0.322213D+02  0.862276D+01  0.242887D+02  0.280338D+01
      5   0.583225D+01 -0.271478D+01  0.255535D+02 -0.204616D+02 -0.132460D+01
      6   0.133554D+01  0.218123D+01  0.651316D+01 -0.381539D+01 -0.299731D+01
                71            72            73            74            75 
      1  -0.400229D+01  0.586426D+00  0.345488D+02 -0.243642D+02 -0.210707D+02
      2   0.791203D+01 -0.316473D+00 -0.178198D+02  0.604735D+01  0.113152D+02
      3  -0.390974D+01 -0.269953D+00 -0.167290D+02  0.183169D+02  0.975550D+01
      4   0.227597D+02 -0.162002D+02 -0.232577D+02 -0.323470D+02 -0.572240D+01
      5  -0.166120D+02 -0.334319D+02 -0.130747D+02 -0.795126D+01 -0.180885D+02
      6  -0.470506D+01 -0.501012D+01 -0.151397D+02 -0.911513D+01 -0.415547D+00
                76            77            78            79            80 
      1  -0.325158D+02 -0.280616D+02 -0.140759D+01 -0.232231D+02  0.124428D+01
      2   0.836667D+01  0.186597D+02 -0.111652D+02  0.112413D+02 -0.112328D+02
      3   0.241491D+02  0.940187D+01  0.125728D+02  0.119818D+02  0.998854D+01
      4  -0.423436D+02 -0.110010D+02 -0.384009D+02 -0.221190D+01 -0.274671D+02
      5  -0.949010D+01 -0.451011D+02  0.212876D+02 -0.102387D+02  0.190041D+02
      6  -0.152576D+02 -0.542650D+01 -0.107114D+02  0.176780D+01 -0.892893D+01
                81            82            83            84            85 
      1  -0.946957D+01  0.348373D+02 -0.225172D+02 -0.125707D+02 -0.305588D+02
      2  -0.499337D+00 -0.352960D+02  0.380250D+00  0.646960D+01  0.134852D+01
      3   0.996891D+01  0.458683D+00  0.221369D+02  0.610113D+01  0.292103D+02
      4   0.166815D+02 -0.192387D+02 -0.393978D+02 -0.873239D+00 -0.400277D+02
      5   0.136358D+02 -0.153980D+02  0.590241D+01 -0.415910D+01  0.361286D+01
      6   0.124869D+02  0.726090D+00  0.438564D+01 -0.261068D+01  0.277100D+01
                86            87            88            89            90 
      1  -0.267235D+02  0.844323D+01 -0.147271D+02  0.252068D+01  0.266604D+01
      2   0.343641D+00 -0.667748D+01  0.180382D+01 -0.763564D+01  0.220847D+02
      3   0.263798D+02 -0.176575D+01  0.129233D+02  0.511496D+01 -0.247508D+02
      4  -0.313730D+02 -0.157750D+02 -0.109515D+02 -0.229676D+02  0.958968D+01
      5  -0.136392D+02  0.204563D+02 -0.258957D+01  0.125216D+02  0.498010D+02
      6  -0.661225D+01  0.102346D+02 -0.108953D+01  0.956633D+01  0.116580D+02
                91            92            93            94            95 
      1   0.714215D+01 -0.517425D+01 -0.196109D+01 -0.116751D+02 -0.170450D+02
      2  -0.830729D+01 -0.132440D+01 -0.533709D+00  0.736456D+01  0.589495D+01
      3   0.116515D+01  0.649866D+01  0.249479D+01  0.431051D+01  0.111501D+02
      4  -0.231047D+02 -0.156761D+02 -0.833666D+01 -0.432197D+02  0.193814D+02
      5  -0.815850D+01 -0.763709D+01 -0.890745D+01 -0.137815D+02 -0.541485D+00
      6  -0.563430D+01 -0.200091D+01 -0.425797D+01 -0.201711D+01 -0.553273D+01
                96            97            98            99           100 
      1  -0.705769D+01 -0.164603D+02 -0.985932D+01 -0.130281D+01 -0.618021D+01
      2   0.301180D+00  0.158820D+00 -0.719444D+00  0.783156D+01  0.230677D+00
      3   0.675651D+01  0.163015D+02  0.105788D+02 -0.652874D+01  0.594953D+01
      4   0.891056D-01 -0.208546D+02 -0.130686D+02 -0.161375D+02  0.157159D+02
      5  -0.128177D+02 -0.148860D+02 -0.152164D+02  0.308502D+02 -0.163544D+02
      6  -0.320030D+01 -0.814823D+01 -0.256085D+01  0.927079D+01  0.557132D+01
               101           102           103           104           105 
      1   0.708936D+01 -0.728425D+01  0.233334D+02  0.123606D+01  0.101066D+02
      2  -0.111370D+00  0.529423D+01 -0.167459D+02  0.588707D+01 -0.227349D+01
      3  -0.697800D+01  0.199002D+01 -0.658747D+01 -0.712313D+01 -0.783310D+01
      4  -0.452674D+01  0.785447D+01 -0.181543D+01 -0.194222D+02 -0.481128D+01
      5   0.712483D+01 -0.293455D+01  0.827108D+01 -0.435475D+01  0.256093D+02
      6  -0.626772D+01  0.547420D+01 -0.163672D+01 -0.710367D+00 -0.160005D+02
               106           107           108           109           110 
      1  -0.255598D+02  0.112891D+02 -0.422716D+01  0.441809D+02 -0.137141D+02
      2   0.818050D+01  0.524740D+01  0.273101D+01 -0.201781D+02  0.389264D+01
      3   0.173793D+02 -0.165365D+02  0.149615D+01 -0.240028D+02  0.982141D+01
      4   0.245278D+02 -0.238827D+02  0.213323D+02 -0.267633D+02  0.217995D+02
      5  -0.192607D+02  0.193211D+02 -0.222003D+02  0.303013D+02 -0.654370D+01
      6   0.113837D+02 -0.183148D+02  0.520486D+01 -0.114263D+02  0.427107D+01
               111           112           113           114           115 
      1   0.232391D+02 -0.182890D+02  0.427184D+01 -0.166901D+01  0.426085D+02
      2  -0.137368D+02  0.321961D+01  0.792024D+01 -0.173909D+01 -0.192310D+02
      3  -0.950233D+01  0.150694D+02 -0.121921D+02  0.340810D+01 -0.233775D+02
      4  -0.107613D+02  0.266920D+02 -0.237387D+02  0.177225D+02 -0.280657D+02
      5   0.217260D+02 -0.124235D+02  0.170501D+02 -0.201080D+02  0.350721D+02
      6  -0.764459D+01  0.614487D+01 -0.121577D+02  0.181285D+02 -0.113890D+02
               116           117           118           119           120 
      1  -0.515508D+01  0.993907D+01 -0.219085D+00 -0.102092D+02 -0.125195D+02
      2  -0.509445D+01 -0.138012D+02 -0.283827D+01  0.123615D+02  0.789993D+01
      3   0.102495D+02  0.386210D+01  0.305735D+01 -0.215236D+01  0.461958D+01
      4   0.350197D+02 -0.192594D+02  0.788695D+00 -0.561944D+01  0.321395D+01
      5  -0.177030D+02  0.562457D+02 -0.753391D+01 -0.141887D+01  0.583478D+01
      6   0.168609D+02 -0.277344D+02  0.363125D+01  0.594427D+01  0.165926D+01
               121           122           123           124           125 
      1  -0.766982D+01 -0.167706D+01 -0.527186D+01 -0.138647D+02 -0.795548D+01
      2   0.150851D+02 -0.216818D+02  0.646434D+00  0.752061D+01  0.652125D+01
      3  -0.741526D+01  0.233589D+02  0.462542D+01  0.634409D+01  0.143423D+01
      4  -0.984702D+01  0.479671D+02 -0.293014D+00  0.124643D+02 -0.142719D+02
      5   0.105344D+01  0.330660D+00 -0.466700D+01  0.168604D+02 -0.169317D+02
      6   0.339312D+01 -0.593580D+00  0.102104D+02 -0.683169D+01  0.208658D+02
               126           127           128           129           130 
      1  -0.103106D+02 -0.312953D+00  0.612126D+00  0.270764D+01 -0.237378D+01
      2  -0.654057D+01 -0.540770D+01 -0.157752D+01  0.562353D+01 -0.686031D+00
      3   0.168512D+02  0.572066D+01  0.965399D+00 -0.833117D+01  0.305981D+01
      4  -0.149011D+02  0.159248D+01  0.251483D+01 -0.796326D+00  0.137267D+01
      5  -0.323844D+02 -0.922756D+01 -0.245791D+01  0.117907D+02 -0.225269D+01
      6   0.235452D+02  0.417658D+00 -0.141465D+01 -0.123780D+01 -0.122868D+01
               131           132           133           134           135 
      1  -0.326949D+01  0.737060D+01  0.361416D+01  0.382655D+01 -0.231513D+02
      2  -0.678959D+00  0.322211D+01  0.717586D+01  0.250463D+01 -0.160286D+02
      3   0.394845D+01 -0.105927D+02 -0.107900D+02 -0.633118D+01  0.391799D+02
      4   0.103019D+01 -0.159554D+01 -0.224792D+01 -0.354428D+01  0.252697D+01
      5  -0.270625D+01  0.377279D+01  0.124096D+02  0.419346D+01 -0.200345D+02
      6  -0.262129D+01  0.218218D+01  0.577878D+00  0.517529D+01 -0.106724D+01
               136           137           138           139           140 
      1   0.270961D+01  0.218303D+00 -0.168679D+01  0.523253D+00 -0.211644D+01
      2  -0.533045D+01  0.975195D+00 -0.420080D+01  0.222449D+01 -0.348239D+00
      3   0.262084D+01 -0.119350D+01  0.588759D+01 -0.274775D+01  0.246468D+01
      4  -0.208549D+01  0.345352D+01 -0.116811D+01  0.225929D+01 -0.283324D+01
      5   0.111160D+02 -0.317227D+01  0.972274D+01 -0.443685D+01  0.342820D+01
      6  -0.783596D+00  0.178947D+01 -0.967489D+00  0.762708D+00 -0.293804D+01
               141           142           143           144           145 
      1   0.510137D+01 -0.388279D+01  0.424369D+01 -0.127090D+02 -0.315470D+01
      2   0.232065D+01 -0.529435D+01  0.121567D+01 -0.852376D+01 -0.262244D+01
      3  -0.742203D+01  0.917715D+01 -0.545936D+01  0.212327D+02  0.577713D+01
      4   0.120736D+01 -0.171056D+01  0.287287D+01 -0.214379D+01  0.542045D+01
      5  -0.606717D+01  0.119564D+02 -0.435163D+01  0.152504D+02 -0.883766D+01
      6   0.251808D+01 -0.197682D+01  0.477809D+01 -0.359411D+01 -0.589726D+01
               146           147           148           149           150 
      1  -0.170598D+01  0.569013D+01 -0.274810D+01 -0.527869D+01  0.915400D+01
      2   0.214590D+00  0.284646D+01 -0.371898D+00  0.150161D+01  0.413977D-01
      3   0.149139D+01 -0.853659D+01  0.312000D+01  0.377708D+01 -0.919539D+01
      4   0.358102D+01 -0.559234D+01  0.227256D+01  0.185570D+01 -0.293515D+01
      5  -0.347112D+01  0.116787D+02 -0.299132D+01 -0.261535D+01  0.364262D+01
      6  -0.344515D+01  0.643265D+01 -0.300359D+01 -0.592860D+01  0.961842D+01
               151           152           153           154           155 
      1   0.770841D+01  0.112915D+02 -0.300248D+02  0.265233D+01  0.243841D+01
      2   0.196651D+01 -0.296462D+01 -0.546949D+01 -0.192391D+01 -0.295430D+01
      3  -0.967492D+01 -0.832686D+01  0.354943D+02 -0.728420D+00  0.515892D+00
      4  -0.599295D+01 -0.505578D+01  0.825123D+01 -0.109236D+02  0.824014D+01
      5   0.104999D+02  0.515354D+01 -0.169362D+02  0.156720D+02 -0.605041D+01
      6   0.871563D+01  0.131898D+02 -0.247437D+02 -0.879865D+01  0.613445D+01
               156           157           158           159           160 
      1  -0.121194D+01  0.221185D+00 -0.442960D+01  0.493712D+01 -0.426573D+01
      2  -0.129542D+01  0.506809D+00  0.280998D+01 -0.703969D+00 -0.134973D+01
      3   0.250736D+01 -0.727994D+00  0.161962D+01 -0.423315D+01  0.561546D+01
      4  -0.835578D+01  0.548641D+01 -0.642245D+01  0.641275D+01 -0.893178D+01
      5   0.136596D+02 -0.802338D+01  0.559566D+01 -0.888757D+01  0.149569D+02
      6  -0.868087D+01  0.594190D+01 -0.707133D+01  0.921477D+01 -0.107715D+02
               161           162           163           164           165 
      1   0.834182D+01 -0.140193D+02  0.917406D+01 -0.225562D+01 -0.837244D+01
      2  -0.457167D+01 -0.116776D+01 -0.780211D+01  0.658943D+00  0.619904D+01
      3  -0.377014D+01  0.151871D+02 -0.137195D+01  0.159668D+01  0.217340D+01
      4   0.789476D+01 -0.107788D+02 -0.577454D+01  0.983660D+01  0.651322D+01
      5  -0.812239D+01  0.199063D+02 -0.155831D+02  0.473346D+01  0.157967D+02
      6   0.123870D+02 -0.187721D+02  0.462448D+01 -0.183405D+01 -0.313846D+01
               166           167           168           169           170 
      1   0.518891D+01  0.102360D+01 -0.270234D+01 -0.156915D+02 -0.462040D+01
      2  -0.370204D+01  0.489325D+00  0.118402D+01  0.141338D+02  0.573950D+00
      3  -0.148687D+01 -0.151293D+01  0.151832D+01  0.155771D+01  0.404645D+01
      4   0.116392D+02 -0.953375D+01 -0.899630D+01  0.128735D+02 -0.143849D+02
      5   0.468239D+01 -0.906690D+01 -0.941180D+01  0.284377D+02 -0.186818D+02
      6  -0.335873D+01  0.637210D+01  0.944508D+01 -0.976419D+01  0.119217D+02
               171           172           173           174           175 
      1  -0.470256D+01  0.207284D+02 -0.100657D+02  0.609812D+01 -0.111980D+02
      2  -0.119501D+02 -0.397751D+01 -0.457567D+00 -0.159890D+01 -0.420159D+01
      3   0.166527D+02 -0.167509D+02  0.105232D+02 -0.449922D+01  0.153996D+02
      4  -0.219039D+02 -0.228541D+02  0.255364D+02 -0.530845D+01  0.336528D+02
      5  -0.502862D+02  0.832662D+01 -0.324535D+01  0.724082D+01 -0.455847D+01
      6   0.198163D+02 -0.255317D+01  0.162254D+00 -0.164763D+01  0.173661D+01
               176           177           178           179           180 
      1   0.376524D+01 -0.547074D+00  0.181276D+02 -0.381746D+00  0.218798D+01
      2   0.182118D+02 -0.420118D+01 -0.470163D+01 -0.688691D+01  0.461966D+00
      3  -0.219771D+02  0.474825D+01 -0.134260D+02  0.726866D+01 -0.264995D+01
      4  -0.471886D+02  0.113994D+02 -0.147209D+02  0.224527D+02 -0.134149D+02
      5   0.102201D+02 -0.841628D+01  0.964836D+01 -0.117981D+02  0.691171D+01
      6  -0.348108D+01  0.520054D+01 -0.417165D+01  0.591381D+01 -0.366989D+01
               181           182           183           184           185 
      1   0.144309D+03 -0.181503D+02 -0.183684D+02 -0.290970D+02  0.138737D+02
      2  -0.736308D+02  0.949740D+01  0.918709D+01  0.144313D+02 -0.527235D+01
      3  -0.706786D+02  0.865288D+01  0.918128D+01  0.146657D+02 -0.860132D+01
      4  -0.144701D+02  0.138738D+02  0.191428D+01  0.174642D+02 -0.889980D+01
      5  -0.220194D+02  0.269583D+01  0.172813D+02  0.296825D+01 -0.660145D+01
      6   0.973652D+00 -0.126625D+01  0.128133D+01 -0.161068D+01  0.267384D-01
               186           187           188           189           190 
      1   0.331209D+01 -0.221937D+02  0.224691D+01  0.172638D+02  0.347503D+02
      2  -0.229230D+01  0.126549D+02 -0.208969D+01 -0.106069D+02 -0.156298D+02
      3  -0.101979D+01  0.953883D+01 -0.157224D+00 -0.665690D+01 -0.191205D+02
      4  -0.608729D+01  0.645041D+00 -0.574185D+01 -0.568297D+00  0.335645D+02
      5  -0.993891D+00  0.241446D+02 -0.827245D+00 -0.545969D+01  0.278179D+02
      6   0.238611D+01 -0.202700D-01  0.251051D+01  0.867748D+00  0.124471D+02
               191           192           193           194           195 
      1   0.212878D+02  0.141594D+02  0.256831D+02  0.162267D+02  0.665009D+01
      2  -0.617892D+01 -0.987657D+01 -0.723808D+01  0.122256D+01 -0.354312D+01
      3  -0.151089D+02 -0.428282D+01 -0.184450D+02 -0.174492D+02 -0.310697D+01
      4   0.309250D+02  0.136030D+02  0.396049D+02  0.465283D+02  0.233823D+02
      5   0.168714D+02  0.220595D+02  0.244819D+02  0.272195D+02  0.213217D+02
      6   0.110897D+02  0.769204D+01  0.150954D+02  0.196996D+02  0.143329D+02
               196           197           198           199           200 
      1   0.791972D+01  0.239428D+01  0.704406D+01  0.110214D+02 -0.677383D+01
      2  -0.660151D+01 -0.221932D+01 -0.591934D+01 -0.914787D+01  0.578678D+01
      3  -0.131821D+01 -0.174956D+00 -0.112471D+01 -0.187355D+01  0.987052D+00
      4   0.100775D+02  0.122891D+02  0.118638D+02 -0.753742D+01  0.129870D+02
      5   0.185542D+02  0.124514D+02  0.146559D+02  0.172030D+02 -0.825719D+01
      6   0.720227D+01  0.100681D+02  0.744905D+01 -0.169519D+01  0.430556D+01
               201           202           203           204           205 
      1   0.124710D+02 -0.119422D+02  0.691981D+01 -0.409431D+01  0.103175D+02
      2  -0.107151D+02  0.105811D+02 -0.878340D+01  0.138182D+02 -0.110109D+02
      3  -0.175581D+01  0.136117D+01  0.186359D+01 -0.972392D+01  0.693400D+00
      4  -0.598186D+01  0.141302D+02 -0.287730D+02  0.223377D+02 -0.599755D+01
      5   0.180375D+02 -0.158648D+02  0.251893D+02 -0.323433D+02  0.187691D+02
      6  -0.181211D+01  0.541725D+01 -0.127687D+02  0.962286D+01 -0.253590D+01
               206           207           208           209           210 
      1  -0.155025D+01  0.262623D+01 -0.451971D+02  0.972173D+01  0.137737D+02
      2   0.956016D+01 -0.174821D+02  0.220589D+02 -0.532160D+01 -0.200305D+01
      3  -0.800991D+01  0.148558D+02  0.231382D+02 -0.440013D+01 -0.117706D+02
      4   0.166037D+02 -0.176996D+02 -0.370837D+01 -0.287803D+01 -0.137464D+01
      5  -0.193905D+02  0.341505D+02 -0.100780D+02 -0.134381D+01 -0.790392D+01
      6   0.952969D+01 -0.789079D+01  0.581957D+01 -0.514929D+01 -0.638610D+01
               211           212           213           214           215 
      1   0.932055D+01 -0.725102D+01 -0.552270D+01  0.110798D+02 -0.326436D+01
      2  -0.454081D+01  0.436448D+01  0.350624D+01 -0.269700D+01  0.145163D+01
      3  -0.477974D+01  0.288653D+01  0.201646D+01 -0.838278D+01  0.181273D+01
      4   0.236274D+01  0.325748D+01  0.571724D+01  0.659422D+00  0.384641D+01
      5   0.820546D+00  0.495768D+01  0.665253D+00  0.165922D+01 -0.816874D+00
      6  -0.193465D+01  0.411489D+01  0.525298D+01 -0.330316D+01  0.435755D+01
               216           217           218           219           220 
      1  -0.101282D+02 -0.416470D+02  0.143768D+02  0.172737D+01  0.108429D+02
      2   0.959137D+00  0.279687D+02 -0.142234D+02 -0.202170D+01 -0.862042D+01
      3   0.916910D+01  0.136783D+02 -0.153401D+00  0.294323D+00 -0.222249D+01
      4  -0.981956D+00 -0.124838D+02 -0.414623D+01  0.347168D+01  0.327765D+01
      5   0.361881D+01  0.118899D+02  0.420629D+00 -0.610921D+01 -0.174325D+01
      6   0.246398D+01  0.521060D+00  0.337883D+01 -0.471342D+01  0.107454D+01
               221           222           223           224           225 
      1  -0.104996D+02  0.934701D-01  0.608401D+01 -0.276614D+01 -0.605072D+01
      2   0.126685D+02  0.558030D+00 -0.369587D+01  0.396407D+01  0.622396D+00
      3  -0.216893D+01 -0.651500D+00 -0.238815D+01 -0.119793D+01  0.542832D+01
      4   0.516456D+01  0.490432D+00  0.191611D+01  0.409731D+01 -0.135138D+01
      5   0.234005D+01 -0.217127D+00 -0.189934D+01  0.818032D-01 -0.284317D+01
      6  -0.139682D+01  0.101827D+01 -0.258615D+01  0.139690D+01 -0.519867D+00
               226           227           228           229           230 
      1   0.662657D+00  0.241236D+01 -0.842558D+01 -0.113341D+01  0.438571D+00
      2  -0.240781D+01  0.260887D+00  0.650061D+01  0.257627D+01 -0.162300D+01
      3   0.174516D+01 -0.267324D+01  0.192497D+01 -0.144286D+01  0.118443D+01
      4   0.308741D+01  0.637566D+01 -0.272180D+01  0.428505D+01  0.191623D-02
      5  -0.101400D+02 -0.122234D+01  0.131784D+02  0.108473D+01 -0.536787D+01
      6  -0.257806D+01 -0.124114D+01  0.163141D+01 -0.812458D+00 -0.215353D+00
               231           232           233           234           235 
      1   0.889223D-01 -0.842472D+01  0.206825D+01 -0.132688D+02  0.270620D+02
      2  -0.472056D+01  0.844674D+01 -0.373951D+01 -0.242628D+02 -0.407051D+00
      3   0.463164D+01 -0.220108D-01  0.167125D+01  0.375317D+02 -0.266550D+02
      4  -0.454314D+01 -0.525959D+01 -0.894125D+01  0.434473D+01  0.405483D+02
      5  -0.965715D+01  0.165403D+02  0.383594D+01 -0.682568D+02 -0.370536D+01
      6   0.347491D+01  0.437515D+01  0.770149D+01 -0.244116D+02 -0.313602D+01
               236           237           238           239           240 
      1   0.202330D+02  0.204393D+01  0.184003D+02  0.109931D+02 -0.166797D+00
      2   0.501533D+01  0.818425D-01  0.800867D+01  0.259345D+02  0.122205D+01
      3  -0.252483D+02 -0.212577D+01 -0.264089D+02 -0.369276D+02 -0.105526D+01
      4   0.439943D+02 -0.119431D+01  0.462771D+02  0.665653D+02 -0.620815D+00
      5  -0.531896D+01  0.931319D+01 -0.511259D+01 -0.411151D+01  0.667989D+01
      6  -0.476097D+01  0.531087D+01 -0.460429D+01 -0.766740D+01  0.592214D+01
               241           242           243           244           245 
      1   0.694810D+01  0.192353D+01  0.352781D+01  0.775633D+00  0.353270D+01
      2   0.378923D+00  0.532874D+01 -0.129541D+01 -0.416871D+01 -0.169023D+01
      3  -0.732703D+01 -0.725227D+01 -0.223240D+01  0.339308D+01 -0.184246D+01
      4   0.854374D+01  0.138507D+02  0.751152D+01  0.632959D+01  0.524068D+01
      5   0.740466D+01  0.596764D+01 -0.131735D+01 -0.117063D+02 -0.150876D+01
      6   0.427969D+01  0.457700D+01  0.354255D+00 -0.373723D+01 -0.364675D+00
               246           247           248           249           250 
      1  -0.652332D+01  0.403055D+01  0.204054D-01  0.211388D+01 -0.787587D+01
      2   0.513601D+01 -0.176875D+01  0.836890D-02 -0.373443D+00  0.866255D+01
      3   0.138732D+01 -0.226180D+01 -0.287743D-01 -0.174044D+01 -0.786677D+00
      4  -0.256379D+01  0.893086D+01  0.443686D+01 -0.728952D+01 -0.466279D+01
      5   0.122762D+02 -0.213478D+01 -0.730140D+01  0.866871D+01  0.169373D+02
      6   0.224237D+01 -0.169125D+01 -0.394277D+01  0.698898D+01  0.327519D+01
               251           252           253           254           255 
      1   0.227399D+01 -0.574135D+01 -0.869528D+02 -0.963796D+01  0.937910D+01
      2   0.724118D+00 -0.131067D+02  0.444950D+02  0.137832D+02 -0.598212D+01
      3  -0.299811D+01  0.188481D+02  0.424579D+02 -0.414525D+01 -0.339698D+01
      4  -0.105987D+02  0.946155D+01 -0.168684D+02  0.253196D+02  0.881485D+01
      5   0.804219D+01 -0.408437D+02  0.119892D+02  0.551331D+01  0.996075D+01
      6   0.615115D+01 -0.119854D+02  0.890614D+01  0.371367D+01  0.386803D+01
               256           257           258           259           260 
      1   0.165304D+02  0.355679D+02  0.780386D+00  0.290570D+02  0.216324D+01
      2  -0.158215D+01 -0.367574D+02 -0.587752D+00 -0.103068D+02  0.312616D+01
      3  -0.149482D+02  0.118953D+01 -0.192634D+00 -0.187502D+02 -0.528940D+01
      4   0.354059D+02 -0.187076D+02  0.103622D+02  0.225242D+02  0.190106D+02
      5   0.119833D+02  0.132639D+02  0.130113D+02  0.156523D+02  0.112721D+02
      6   0.718270D+01  0.401847D+01  0.678436D+01  0.812505D+01  0.692618D+01
               261           262           263           264           265 
      1   0.128543D+02  0.324111D+01 -0.648072D+01 -0.145023D+01 -0.236214D+01
      2   0.616546D+01  0.403151D+01 -0.336349D+01 -0.402199D+00 -0.940683D+01
      3  -0.190197D+02 -0.727262D+01  0.984420D+01  0.185242D+01  0.117690D+02
      4   0.144979D+02 -0.132192D+02  0.203444D+02  0.449263D+01  0.254713D+02
      5  -0.273292D+02 -0.484106D+01  0.579794D+01  0.360020D+01  0.690334D+01
      6  -0.842050D+01  0.361979D+01 -0.420274D+01 -0.163841D+01 -0.589206D+01
               266           267           268           269           270 
      1  -0.158541D+02 -0.453182D+01  0.298567D+00  0.446825D+00 -0.211798D+01
      2   0.447621D+02  0.680171D+01  0.266981D+01 -0.811672D+01  0.191964D+01
      3  -0.289081D+02 -0.226989D+01 -0.296838D+01  0.766989D+01  0.198340D+00
      4  -0.668382D+02 -0.139341D+02 -0.383616D+01  0.995860D+01 -0.356887D+01
      5  -0.162097D+02 -0.117507D+02  0.189698D+01 -0.344261D+01 -0.352481D+01
      6   0.199946D+02  0.978093D+01 -0.112059D+01  0.426673D+01  0.263325D+01
               271           272           273           274           275 
      1   0.131647D+03  0.120880D+02 -0.489346D+01 -0.574268D+01  0.719012D+01
      2  -0.618589D+02 -0.199465D+01  0.204169D+01  0.590485D+01 -0.326819D+00
      3  -0.697877D+02 -0.100934D+02  0.285177D+01 -0.162173D+00 -0.686330D+01
      4   0.472749D+02  0.188935D+02 -0.125927D+00  0.125344D+02  0.606334D+01
      5   0.332030D+01  0.128195D+01  0.126600D+02 -0.113695D+01 -0.184481D+01
      6  -0.979565D+00  0.124290D+01  0.377972D+01 -0.588850D-01 -0.281556D+00
               276           277           278           279           280 
      1   0.191320D+00 -0.186550D+02 -0.171685D+01  0.997770D+01  0.109934D+01
      2  -0.275185D+00  0.787350D+01 -0.708501D+00 -0.702288D+01  0.266881D+01
      3   0.838646D-01  0.107815D+02  0.242536D+01 -0.295482D+01 -0.376815D+01
      4  -0.210178D+01 -0.884631D+01 -0.572403D+01  0.247418D+01  0.391651D+01
      5  -0.153162D+01  0.141094D+02  0.398430D+00 -0.811652D+00 -0.228013D+01
      6  -0.370710D-01  0.373760D+01  0.757283D+00 -0.319444D+00 -0.940943D+00
               281           282           283           284           285 
      1   0.136546D+02 -0.124470D+01  0.102577D+02 -0.319766D+02 -0.445232D+00
      2  -0.144375D+02  0.871112D+00 -0.389978D+01  0.534899D+02 -0.544702D+00
      3   0.782890D+00  0.373587D+00 -0.635789D+01 -0.215133D+02  0.989934D+00
      4  -0.735075D+01 -0.210211D+01  0.954309D+01  0.524922D+02 -0.420406D-01
      5  -0.365220D+00 -0.250044D+01  0.119054D+01 -0.248260D+01  0.559025D+01
      6  -0.149058D+01 -0.215327D+01 -0.936931D-01  0.462780D+01  0.644038D+01
               286           287           288           289           290 
      1  -0.531224D+01  0.113357D+01 -0.568295D+01  0.667592D+01  0.930424D+00
      2   0.150745D+01 -0.469336D+01  0.460062D+01 -0.625584D+01 -0.178540D+01
      3   0.380479D+01  0.355980D+01  0.108233D+01 -0.420078D+00  0.854976D+00
      4  -0.457340D+01 -0.887304D+01  0.373009D+01 -0.139627D+00 -0.276551D+01
      5   0.277114D+00  0.485329D+01  0.657189D+00  0.380353D+01 -0.119323D+01
      6  -0.376452D+00  0.687191D+01 -0.215616D+00  0.237198D+00 -0.137423D+01
               291           292           293           294           295 
      1   0.571865D+01 -0.595007D+01 -0.600705D+01 -0.889530D+00  0.105869D+02
      2  -0.248671D+01  0.251270D+01  0.343457D+01  0.338994D+01 -0.676367D+01
      3  -0.323193D+01  0.343738D+01  0.257248D+01 -0.250041D+01 -0.382328D+01
      4   0.252238D+00 -0.331824D+01 -0.183165D+01  0.262830D+01  0.602963D+01
      5   0.112133D+01 -0.269950D+01  0.244171D+01 -0.565448D+01  0.105544D+02
      6  -0.949993D+00 -0.735503D+00  0.367228D+00  0.160172D+01  0.231645D+01
               296           297 
      1  -0.959701D+00 -0.113293D+02
      2   0.330938D+01 -0.136575D+02
      3  -0.234968D+01  0.249868D+02
      4   0.966775D+01  0.646704D+00
      5   0.156850D+01  0.445072D+02
      6   0.461604D+01  0.170072D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.471325D+00      0.119799D+01      0.399606D+01
   y         -0.177071D+00     -0.450069D+00     -0.150127D+01
   z          0.473124D+00      0.120256D+01      0.401131D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.199037D+03      0.294943D+02      0.328168D+02
   yx        -0.554041D+00     -0.821005D-01     -0.913491D-01
   yy         0.130507D+03      0.193392D+02      0.215177D+02
   zx         0.166351D+01      0.246507D+00      0.274276D+00
   zy        -0.744604D+01     -0.110339D+01     -0.122769D+01
   zz         0.145234D+03      0.215214D+02      0.239458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168754D+03      0.250068D+02      0.278238D+02
   aniso      0.709406D+02      0.105123D+02      0.116965D+02
   xx         0.214286D+03      0.317538D+02      0.353309D+02
   yx        -0.144921D+01     -0.214750D+00     -0.238942D+00
   yy         0.138388D+03      0.205069D+02      0.228171D+02
   zx         0.161435D+01      0.239222D+00      0.266170D+00
   zy        -0.775976D+01     -0.114988D+01     -0.127941D+01
   zz         0.153589D+03      0.227595D+02      0.253234D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.57539356         -1.13510741         -0.52031291
     6          2.34280323         -1.35288217          2.09805333
     6          0.46762951         -1.09563667         -2.07820159
     6         -1.95548370         -1.27828699         -1.06060019
     6         -2.20255524         -1.50369757          1.54702002
     6         -0.08618841         -1.55023781          3.09842196
     6          4.63374799         -1.32775249          3.78610954
     6          5.47042762          1.32136745          4.70012994
     6          3.46172337          2.60223762          6.33203510
     6          6.26842276          3.03366791          2.51617427
     6         -4.27369158         -1.28965107         -2.75652900
     6         -4.29924668          1.12351271         -4.30287860
     8         -3.45515123          1.36749758         -6.40114854
     8         -5.35424189          3.06278025         -3.01473519
     1          4.43962886         -0.99837495         -1.35378487
     1          0.70611260         -0.90927761         -4.10169322
     1         -4.06913867         -1.65264702          2.37467544
     1         -0.32824966         -1.74485431          5.12138427
     1          6.22018682         -2.19654782          2.78875823
     1          4.26378091         -2.49616621          5.44873262
     1          7.13508521          0.99955440          5.88816628
     1          4.16801212          4.38863957          7.08468419
     1          2.91589097          1.41412909          7.92940852
     1          1.76213425          3.01039287          5.23640812
     1          4.67174946          3.45745334          1.28068281
     1          7.74237172          2.15642394          1.36787527
     1          7.00374661          4.82470624          3.22892772
     1         -5.93714869         -1.24710584         -1.54015755
     6         -4.37270206         -3.61550697         -4.47052394
     1         -5.21318096          4.55038174         -4.07712860
     1         -6.09134851         -3.62048436         -5.60879636
     1         -4.33272892         -5.32525177         -3.32273727
     1         -2.76346359         -3.64533376         -5.75173339

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.690903D+00      0.175610D+01      0.585772D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.172588D+03      0.255750D+02      0.284560D+02
   yx         0.705549D+01      0.104552D+01      0.116329D+01
   yy         0.128523D+03      0.190451D+02      0.211905D+02
   zx         0.252401D+02      0.374019D+01      0.416153D+01
   zy         0.308542D+01      0.457212D+00      0.508717D+00
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168754D+03      0.250068D+02      0.278238D+02
   aniso      0.709406D+02      0.105123D+02      0.116965D+02
   xx         0.184508D+03      0.273413D+02      0.304213D+02
   yx         0.708526D+01      0.104993D+01      0.116820D+01
   yy         0.136178D+03      0.201795D+02      0.224527D+02
   zx         0.286802D+02      0.424996D+01      0.472872D+01
   zy         0.292939D+01      0.434090D+00      0.482991D+00
   zz         0.185576D+03      0.274995D+02      0.305974D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-23\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.736226,-0.365262,-1.272205\C,1.580407,-0.843892,-0.2689
 44\C,-0.631287,-0.249652,-1.070495\C,-1.202033,-0.613612,0.148225\C,-0
 .367697,-1.095463,1.151784\C,1.000381,-1.213316,0.943659\C,3.068617,-0
 .934244,-0.480851\C,3.864505,0.334941,-0.092392\C,3.754611,0.654693,1.
 397822\C,3.47577,1.54574,-0.939652\C,-2.702771,-0.516689,0.368988\C,-3
 .138269,0.918833,0.145133\O,-3.559047,1.373836,-0.886855\O,-2.970828,1
 .672405,1.255783\H,1.156867,-0.080316,-2.228675\H,-1.260188,0.132647,-
 1.864576\H,-0.792008,-1.385962,2.105337\H,1.627267,-1.599939,1.73772\H
 ,3.268482,-1.153685,-1.532795\H,3.462957,-1.774242,0.096737\H,4.913285
 ,0.101574,-0.306459\H,4.394928,1.499871,1.657871\H,4.056957,-0.196129,
 2.012581\H,2.730553,0.917518,1.669696\H,2.441497,1.841134,-0.753494\H,
 3.577595,1.336297,-2.006833\H,4.11306,2.400281,-0.703913\H,-2.898442,-
 0.751368,1.416045\C,-3.487164,-1.472476,-0.531817\H,-3.218631,2.58075,
 1.021627\H,-4.556603,-1.415011,-0.324547\H,-3.151396,-2.495431,-0.3621
 97\H,-3.334967,-1.225513,-1.581072\\Version=ES64L-G16RevA.03\State=1-A
 \HF=-657.0236108\RMSD=8.023e-09\RMSF=4.878e-06\ZeroPoint=0.2845324\The
 rmal=0.30006\Dipole=0.4713246,-0.1770708,0.4731237\DipoleDeriv=-0.1097
 271,-0.0072732,-0.045153,0.0128122,-0.0876413,-0.0684767,-0.081669,-0.
 052636,0.0669567,0.300574,0.0457458,-0.0250921,0.0142792,-0.1099179,-0
 .0158886,-0.0516413,-0.0178627,-0.0695112,-0.0958801,-0.0094495,0.0353
 222,-0.0231971,-0.0907845,-0.0448834,0.0636361,-0.0419955,-0.0116313,0
 .30639,-0.1142535,-0.0002911,0.0056883,-0.1365923,-0.0042315,-0.056335
 3,0.0131355,-0.0701009,-0.0763589,0.0161221,-0.0497302,0.0140686,-0.08
 84602,-0.0543373,-0.0157715,-0.0781842,0.0700842,-0.1122934,-0.0407126
 ,0.0604081,-0.051114,-0.0871036,-0.0458315,0.112274,-0.0556728,0.02086
 65,0.0722258,-0.0228841,-0.0025379,-0.1760324,0.0911675,0.0087299,-0.0
 625861,-0.0056253,0.1154767,0.1448439,0.0119685,0.0068586,0.1650331,0.
 1555628,-0.017245,0.0649055,-0.0032418,0.1552731,0.0722616,-0.0068048,
 0.0057634,-0.0558875,0.0534332,-0.0336546,0.0141769,-0.0310415,-0.0259
 685,0.0608302,0.0133691,-0.0153118,-0.0164568,-0.0138589,0.045453,-0.0
 549389,0.0363389,0.0516173,-0.0283393,0.1708088,-0.0261177,0.1043739,-
 0.0304155,0.0211543,-0.115308,0.0374748,0.1139057,0.4847693,-0.2551588
 ,0.3193527,-0.6472379,1.2340887,0.2694344,0.3849344,0.2710076,1.420377
 2,-0.5381839,0.1170866,-0.2443291,0.3565722,-0.7081137,0.2021172,-0.30
 92696,0.0082244,-0.8810008,-0.3735621,0.0046834,-0.0317928,0.1167591,-
 0.7315054,-0.5441341,0.0220414,-0.4189205,-0.8886392,0.023809,-0.00101
 05,0.0769799,-0.0034814,0.0950329,0.0510299,0.0843213,0.0517097,-0.042
 8971,0.03496,0.0211475,-0.0608079,0.0399514,0.0988607,0.0420677,-0.066
 9668,0.0411858,0.0235573,0.020713,-0.0235677,0.0786341,-0.0085561,0.09
 56687,0.0469862,0.0753539,0.0540365,-0.0435183,-0.0133549,0.0597271,-0
 .075004,0.0558413,0.095401,0.0495532,-0.0745425,0.0479958,-0.0068691,-
 0.0333419,-0.0092558,-0.0038576,0.0012586,0.0423995,-0.0299354,0.06530
 1,-0.0725551,-0.1417982,-0.0495973,0.0198878,-0.0044286,0.06312,-0.086
 5989,0.0663257,-0.0501194,0.114735,0.0007192,-0.2355668,0.0394214,0.04
 12101,-0.0069985,-0.0117648,-0.0062372,0.025661,-0.0106298,-0.0039677,
 -0.0401773,-0.1091467,-0.0552564,-0.1321795,-0.0769863,-0.0756602,-0.0
 24828,-0.0345312,0.0309471,0.0619925,0.0366597,-0.0199215,0.0638678,-0
 .0812249,0.1207101,-0.016324,0.0714485,-0.0477052,-0.0977937,0.0562152
 ,0.0620456,0.0825455,0.0547765,0.0069799,0.0282102,0.0056934,0.0196422
 ,-0.099412,0.0731556,0.0162798,0.0704733,0.0564645,0.0034294,0.0591452
 ,0.0050122,0.0187818,0.0685675,0.0162587,-0.0040715,0.0285173,0.032498
 2,-0.056254,0.0070437,-0.0039179,-0.166152,-0.0383802,-0.1252511,-0.01
 42669,-0.1144105,-0.1019457,-0.006448,-0.0471529,-0.0470124,0.0542569,
 0.0322979,-0.012276,-0.0181101,-0.0106995,0.0096645,0.0146161,0.034810
 6,0.0099018,-0.0914862,0.0142984,-0.0003446,-0.021669,0.0483102,0.0689
 032,-0.0374737,0.0307938,0.0056114,0.0326316,0.3239471,0.022528,-0.028
 143,-0.0018163,0.2575428,0.0572222,-0.0631929,0.0974517,0.2548989,-0.2
 041364,-0.0282886,0.0174008,-0.01021,0.0600472,-0.0210097,0.0169401,-0
 .020989,0.0541519,0.0607585,0.0689401,-0.0223085,0.0343978,-0.1114687,
 0.0024927,-0.0119134,0.0254292,0.051715,0.0628665,-0.0280481,0.0479453
 ,-0.0195922,0.0528708,0.053399,0.0130107,-0.0015763,-0.064614\Polar=19
 9.0371057,-0.5540414,130.5073135,1.66351,-7.4460429,145.2336099\Quadru
 pole=0.2109258,0.743893,-0.9548188,0.7774577,-4.6579233,0.6798851\PG=C
 01 [X(C13H18O2)]\NImag=0\\0.67654503,-0.05317854,0.20697699,-0.0542954
 0,-0.17793810,0.65126079,-0.19023891,0.05439010,-0.10762429,0.63182123
 ,0.03248944,-0.09655033,0.06825546,-0.04821328,0.24455688,-0.04670323,
 0.05946929,-0.21860903,-0.01665910,-0.15389879,0.60537273,-0.33232775,
 0.01389282,0.06335162,-0.03941835,0.02923786,-0.06197101,0.69309554,0.
 03675018,-0.07081313,0.01480082,0.01261704,0.00735671,-0.00485972,-0.0
 8144132,0.21428457,0.00219249,0.02371855,-0.12520433,-0.01867484,-0.01
 204714,0.04487838,0.00981859,-0.18282432,0.63134041,-0.01736320,-0.008
 78028,0.03457924,0.00270954,0.00164414,-0.00761071,-0.15227358,-0.0230
 8517,0.09420340,0.61209500,-0.02551077,0.01362871,-0.00707513,0.001370
 70,-0.01460248,0.02163236,-0.00187868,-0.08921237,0.05826870,-0.056982
 44,0.23983000,0.08023634,-0.01452362,0.01438748,-0.00814361,0.02171658
 ,-0.06253108,0.03559605,0.06660413,-0.26383090,-0.00684196,-0.15630779
 ,0.60951623,-0.05601080,0.01447332,-0.01958135,-0.01581433,-0.02544971
 ,0.07893615,0.05949266,0.00626134,-0.03637291,-0.18960529,0.03478548,-
 0.05003836,0.67214376,0.01451154,-0.01073216,0.00376485,-0.01020173,0.
 01294385,-0.01391937,-0.00935971,0.00218157,0.02783653,0.05872178,-0.0
 9686634,0.06437752,-0.05679506,0.20701573,-0.02060800,0.00385795,-0.00
 941739,0.03429681,-0.00715068,0.01500026,0.00647299,0.02127641,-0.0506
 6898,-0.11390379,0.07269435,-0.22240196,-0.05163913,-0.18392664,0.6535
 5169,0.06013679,-0.00969730,0.00520429,-0.15622869,-0.00266156,0.03814
 705,-0.04319091,-0.00633492,0.03180044,-0.03968332,0.03030316,-0.06384
 413,-0.32707617,0.01462351,0.06393082,0.68855669,0.00506154,0.00169138
 ,0.02118923,-0.02524755,-0.09008157,0.06884625,-0.00547514,-0.00671474
 ,0.00195336,0.01325436,0.00648836,-0.00432868,0.03635550,-0.07063978,0
 .01501422,-0.07972303,0.21533758,-0.03582279,0.02769668,-0.05043638,0.
 09884797,0.05983637,-0.26247479,0.03031750,0.00235035,-0.02529657,-0.0
 1778730,-0.01127162,0.04355877,0.00230223,0.02345876,-0.12527517,0.007
 71197,-0.18628881,0.62906721,-0.02553439,0.00594224,-0.00141439,-0.193
 26294,0.01032389,0.01606660,0.00237165,0.00160051,-0.00142423,-0.00135
 510,0.00018960,0.00012961,0.00318499,0.00101781,0.00069420,-0.01773510
 ,0.00096618,0.01015606,0.46985848,0.01255114,0.00421397,-0.00171533,0.
 02056435,-0.07731156,0.00311000,0.00262340,0.00546174,0.00385739,-0.00
 054146,-0.00111889,0.00035339,0.00063159,0.00549053,0.00324749,-0.0077
 6435,0.00477191,0.00160483,-0.05822793,0.47627324,-0.02259571,0.000530
 50,0.00757626,0.01986880,0.00427065,-0.09251071,-0.00278046,0.00273333
 ,-0.00272018,-0.00015465,0.00014724,-0.00143454,0.00222589,0.00454849,
 -0.00321791,0.03058535,-0.00091520,-0.00086572,-0.00576422,-0.04299625
 ,0.59200949,0.00039136,-0.00029979,0.00160282,-0.02551755,-0.02592108,
 -0.00689883,-0.00040111,0.00125111,0.00048292,0.00024847,-0.00024321,-
 0.00005406,-0.00044255,0.00120489,0.00048975,0.00023773,0.00069423,-0.
 00159282,-0.09415063,-0.03413728,-0.01076752,0.56235603,0.00277682,-0.
 00203724,0.00035837,-0.01240856,0.00680649,0.00431368,-0.00046717,-0.0
 0082116,0.00010895,0.00052128,0.00009030,-0.00019919,-0.00035948,-0.00
 036130,-0.00024470,0.00181830,-0.00053638,-0.00179802,-0.02232443,-0.1
 2459052,-0.01610363,-0.03936391,0.46049211,-0.00006692,0.00021091,0.00
 022233,-0.00175770,0.00592624,0.00184124,0.00010475,0.00013911,-0.0001
 0266,0.00020059,-0.00006497,0.00024368,-0.00037304,-0.00071520,-0.0005
 5690,0.00170143,-0.00108773,-0.00115389,-0.00628027,-0.01475763,-0.080
 38911,-0.02634495,0.00214620,0.47154395,-0.00025025,0.00026019,-0.0001
 3053,0.00094272,-0.00010677,-0.00133613,0.00000881,0.00000298,0.000011
 93,-0.00019210,0.00008717,0.00000380,0.00003888,0.00017609,-0.00006201
 ,-0.00031668,-0.00083338,0.00002793,0.00146525,-0.00495203,-0.01879127
 ,-0.08144759,0.00230089,0.01081596,0.56495753,-0.00005855,-0.00000248,
 0.00032455,0.00099394,-0.00003421,-0.00035495,-0.00008764,0.00011740,-
 0.00006940,0.00006020,0.00010799,-0.00000950,0.00020141,-0.00035864,-0
 .00002008,-0.00098169,-0.00067995,-0.00056789,0.00011499,-0.00921857,-
 0.02871596,0.00324666,-0.08180976,-0.02129751,0.00313901,0.56653605,0.
 00013369,-0.00003180,-0.00004782,-0.00026588,-0.00008866,0.00026523,0.
 00010018,0.00000157,-0.00013252,0.00011341,-0.00002437,0.00014584,-0.0
 0015001,0.00000409,-0.00023292,0.00006300,-0.00029588,0.00030132,-0.00
 334020,-0.00789538,-0.01194106,0.01124588,-0.02013366,-0.17411744,0.00
 787742,-0.02459652,0.46638950,-0.00044143,-0.00068979,-0.00039442,0.00
 131478,-0.00088576,0.00073232,0.00009276,0.00011337,0.00009070,-0.0001
 8057,0.00004683,0.00012679,-0.00002278,0.00003124,-0.00001160,-0.00023
 876,0.00011311,0.00029373,0.00552950,-0.01470079,0.01013729,-0.0887027
 0,0.02295801,-0.01567218,0.00097315,-0.00207639,0.00051564,0.55889638,
 -0.00072498,-0.00077597,-0.00021592,0.00065614,-0.00012725,-0.00005012
 ,0.00005753,-0.00030039,-0.00004397,0.00008936,0.00013251,-0.00006501,
 0.00004078,-0.00002471,0.00016524,-0.00002207,0.00012456,-0.00014477,0
 .00344001,-0.02971069,0.01454910,0.02415858,-0.14073379,0.04435806,-0.
 00118102,0.00479180,0.00178341,0.02320062,0.50010351,-0.00050045,-0.00
 049002,0.00051146,0.00067798,0.00000953,0.00001900,0.00017579,-0.00007
 824,-0.00035159,0.00002455,-0.00001980,0.00014274,-0.00013016,0.000086
 40,0.00004044,-0.00014200,0.00015026,-0.00019637,0.00351738,-0.0035054
 0,0.00461816,-0.01526169,0.04341702,-0.10806397,-0.01021505,0.02855669
 ,-0.02813348,-0.01314378,0.04865761,0.53902310,0.00332906,-0.00119613,
 0.00119714,-0.00101120,0.00042770,-0.00065922,-0.01894787,-0.00018550,
 0.00953787,-0.17112371,0.01629664,0.01118358,-0.02766978,0.00432847,0.
 00177052,0.00098383,0.00094360,-0.00224083,0.00014284,0.00002231,0.000
 03700,-0.00004055,-0.00001670,-0.00000846,-0.00002093,0.00000012,0.000
 00233,-0.00003396,0.00000736,0.00000875,0.43170005,-0.00037396,0.00517
 379,0.00269899,0.00026183,-0.00115497,0.00012523,-0.00627614,0.0025213
 7,-0.00074335,0.00161086,-0.07030827,0.00770667,0.01382541,0.00306085,
 -0.00174571,0.00175517,0.00590827,0.00460876,-0.00047687,-0.00077232,-
 0.00035131,-0.00008465,0.00006926,0.00005934,0.00000418,0.00002084,0.0
 0000381,0.00000003,0.00000278,0.00001677,0.00618222,0.45776467,0.00147
 607,0.00347296,-0.00472192,-0.00052865,0.00011551,-0.00106184,0.029528
 72,-0.00277682,0.00013067,0.02226831,0.00409572,-0.08630538,-0.0204934
 7,0.00092855,0.00635171,-0.00178033,0.00373596,-0.00159262,-0.00009232
 ,-0.00047903,-0.00011112,-0.00005739,0.00019015,0.00008480,-0.00001152
 ,-0.00003386,0.00000070,-0.00000334,-0.00000025,-0.00005107,-0.0138304
 2,-0.02621665,0.60143148,-0.00064480,-0.00017523,-0.00104546,-0.000192
 40,-0.00006422,0.00051689,0.00028690,-0.00025363,0.00131297,-0.0215533
 5,0.03406125,-0.00706823,-0.00369893,-0.00003759,0.00130042,-0.0003341
 9,-0.00094080,-0.00140745,-0.00000364,0.00015918,0.00007385,-0.0000045
 3,-0.00011267,-0.00003325,-0.00006388,0.00005773,0.00001474,-0.0000451
 5,0.00006170,0.00002848,-0.08555236,0.01957464,0.00395125,0.32947038,-
 0.00022101,-0.00102320,0.00056724,-0.00019048,0.00053265,-0.00016859,-
 0.00394600,0.00050078,0.00015763,0.02387281,0.00015671,-0.00446409,-0.
 00464216,-0.00023973,0.00200306,-0.00102428,-0.00063505,-0.00072048,0.
 00024724,-0.00034328,-0.00010305,0.00011141,0.00064620,0.00019861,-0.0
 0014163,-0.00021853,0.00003458,-0.00019676,-0.00015006,-0.00011928,0.0
 1238983,-0.16123824,0.01582854,-0.12965224,0.63109327,0.00033602,0.000
 89238,-0.00118963,-0.00015594,-0.00007980,-0.00042927,0.00270366,-0.00
 109301,0.00317578,-0.00384311,-0.00656719,0.00026796,0.00024365,-0.000
 37961,-0.00104451,-0.00096736,0.00002600,-0.00012420,-0.00002963,0.000
 24755,-0.00009207,0.00009809,-0.00006831,0.00006766,-0.00018527,0.0000
 1089,-0.00001174,-0.00006265,0.00000545,-0.00000073,0.00809278,0.00450
 541,-0.07943242,0.20616481,-0.12807719,0.80698562,0.00020117,0.0001385
 2,-0.00015110,-0.00003761,0.00000847,-0.00018979,-0.00063341,0.0007040
 5,0.00055366,0.00233580,-0.00307443,0.00160143,0.00037110,0.00011809,-
 0.00022073,-0.00011181,0.00004870,0.00026867,0.00005749,-0.00008698,-0
 .00007166,-0.00000193,0.00009671,0.00003562,0.00003539,-0.00004601,-0.
 00000347,0.00003915,-0.00003914,-0.00003586,0.01113977,0.01180339,-0.0
 2259617,-0.15781833,0.09784673,-0.18857657,0.13144485,0.00049712,0.000
 24981,-0.00003137,0.00002215,-0.00010980,-0.00018056,0.00078761,0.0001
 0579,0.00075871,-0.00387166,-0.00289145,0.00264353,0.00223065,-0.00007
 902,-0.00090039,0.00018495,0.00045257,0.00023950,-0.00010328,0.0001593
 9,0.00000168,-0.00004641,-0.00030003,-0.00005566,0.00001864,0.00010418
 ,-0.00001253,0.00007488,0.00007879,0.00004430,0.01689209,-0.01077277,0
 .03571007,0.09385925,-0.21923079,0.20025477,-0.10734907,0.19829146,-0.
 00052841,-0.00072752,0.00079306,0.00020909,0.00007661,0.00026582,-0.00
 040905,0.00016850,-0.00245064,0.00459769,0.00290859,-0.00219296,-0.001
 53902,0.00051536,0.00111460,0.00031266,-0.00036053,-0.00013042,0.00004
 122,-0.00011576,0.00011579,-0.00000922,0.00013541,-0.00002385,0.000091
 15,-0.00004643,0.00000813,0.00000959,-0.00003202,-0.00001970,-0.016996
 67,0.01573755,-0.01089042,-0.19126890,0.21388899,-0.54064811,0.2423750
 5,-0.22465237,0.64973667,0.00019553,0.00005230,0.00018019,0.00007501,-
 0.00002037,-0.00005520,0.00013005,0.00042608,-0.00081331,0.00005658,-0
 .00078693,0.00090892,0.00043077,0.00009457,0.00015940,0.00020159,0.000
 06989,0.00022499,0.00002472,-0.00008832,-0.00001170,-0.00003324,0.0000
 1470,0.00000616,0.00008763,-0.00001644,-0.00001636,0.00008627,-0.00001
 586,-0.00001707,0.01058397,0.00884953,0.00503503,-0.07199522,0.0073653
 7,-0.02151685,0.02054800,-0.00864507,-0.03591748,0.09059652,0.00035853
 ,0.00031016,0.00030584,0.00006434,-0.00011748,-0.00005132,0.00078364,0
 .00004201,-0.00035634,-0.00453164,-0.00264845,-0.00004843,0.00097646,0
 .00012834,-0.00063864,0.00039944,0.00029335,0.00016209,-0.00009293,0.0
 0012695,0.00008315,-0.00007578,-0.00029450,-0.00011790,0.00012316,0.00
 009594,-0.00001767,0.00011852,0.00006530,0.00005764,0.00064297,-0.0314
 2064,-0.03300631,0.00204096,-0.17710720,-0.07846390,-0.00536640,0.0357
 7819,-0.01394324,-0.11412387,0.59776473,-0.00012456,0.00004025,0.00050
 940,0.00004839,-0.00014950,0.00025422,0.00016987,-0.00001215,-0.001085
 29,-0.00179247,-0.00043364,0.00086694,0.00029741,0.00018945,-0.0004781
 4,0.00067156,0.00013640,0.00010408,-0.00004159,0.00001215,0.00008699,-
 0.00006177,-0.00013906,-0.00010110,0.00010503,0.00004937,0.00000059,0.
 00004872,0.00003259,0.00003986,-0.00010690,-0.00575793,-0.00009037,-0.
 02548135,-0.05244379,-0.18809154,-0.03373684,-0.02402005,-0.09970920,0
 .09423855,-0.00171939,0.36024986,-0.09935169,-0.02480233,0.09456957,0.
 01001960,0.00510492,-0.01640500,-0.00853405,-0.00917237,0.02910999,-0.
 00521243,0.00174132,-0.00010997,-0.00092183,0.00029411,-0.00058302,-0.
 00168535,0.00209308,-0.00296846,0.00105600,-0.00069377,-0.00109498,-0.
 00013350,0.00008916,-0.00009433,0.00001227,-0.00000020,0.00000716,-0.0
 0007468,-0.00025984,-0.00036108,-0.00015561,-0.00019959,0.00138556,0.0
 0023330,-0.00060330,0.00028272,-0.00005586,0.00023560,-0.00025126,-0.0
 0002520,0.00014560,-0.00000736,0.10398069,-0.02483849,-0.05840034,0.07
 087953,-0.00410483,0.00068392,0.00976716,0.00130986,0.00345369,-0.0027
 0373,0.00155034,0.00692121,0.00167197,0.00042912,-0.00045852,-0.000171
 39,0.00222795,0.00458053,0.00323584,-0.00180975,-0.00303007,-0.0003305
 9,-0.00037895,0.00064953,-0.00018601,-0.00007324,-0.00012439,0.0000856
 6,-0.00007858,-0.00019764,-0.00002623,0.00008227,0.00024863,-0.0000443
 6,0.00002056,-0.00001332,0.00008038,0.00003186,-0.00003624,-0.00002699
 ,-0.00001568,-0.00003134,-0.00001888,0.02648676,0.05066481,0.09368983,
 0.07051156,-0.26977127,0.01144678,0.00592618,-0.01750035,0.00018925,0.
 00134088,-0.00085023,0.00086105,0.00169253,0.00266049,-0.00070976,-0.0
 0021840,0.00035015,-0.00363492,0.00303778,-0.00111883,0.00113434,-0.00
 196334,0.00029671,-0.00056068,0.00040032,-0.00011872,0.00009130,-0.000
 06695,0.00000684,0.00008952,0.00037904,0.00002399,-0.00016612,0.000102
 41,-0.00014548,-0.00005523,0.00029547,0.00001871,0.00006656,-0.0001422
 2,0.00003992,-0.00000121,-0.00013449,-0.00006359,-0.10266656,-0.079465
 98,0.28595723,-0.01381589,0.01134879,-0.02460173,-0.00479612,0.0006840
 7,0.00257822,-0.15132860,0.05850373,-0.11573891,0.01184077,-0.00447357
 ,0.00913822,-0.00034573,-0.00017178,0.00310813,-0.00054876,-0.00032324
 ,0.00085323,-0.00015748,0.00054608,-0.00117372,-0.00006642,0.00016861,
 0.00004525,-0.00000421,-0.00002436,0.00002364,-0.00003207,-0.00001559,
 -0.00003217,0.00010580,-0.00040397,-0.00033649,0.00013792,0.00001976,0
 .00163506,-0.00053949,0.00018976,-0.00051123,-0.00018140,-0.00027123,-
 0.00053593,0.00103170,-0.00076228,0.00007473,0.15916081,0.00040876,0.0
 0226431,0.00158578,0.00117115,0.00676933,0.00185627,0.05866434,-0.0742
 2923,0.07899454,0.00532197,0.00057638,0.00624319,-0.00045581,0.0050240
 5,0.00271078,-0.00020096,-0.00039125,-0.00030607,-0.00022209,0.0000300
 3,0.00019011,-0.00000345,0.00002904,-0.00000624,-0.00000091,-0.0000155
 5,-0.00002773,-0.00007541,0.00001023,0.00000906,0.00047303,-0.00281237
 ,-0.00108787,0.00028072,0.00118003,-0.00105912,0.00001869,-0.00082790,
 0.00058316,-0.00009421,-0.00032989,0.00010078,-0.00047282,-0.00341719,
 -0.00158158,-0.06420499,0.06723058,0.00406921,-0.00213967,0.00719930,0
 .00198251,0.00184279,0.00211239,-0.11494847,0.07827885,-0.20606771,-0.
 01787507,0.00979860,-0.01648314,0.00376259,0.00283205,-0.00305889,0.00
 091515,-0.00030392,-0.00009072,0.00012742,-0.00007882,0.00022059,0.000
 01326,0.00004089,-0.00000079,-0.00000375,-0.00001278,-0.00001185,-0.00
 005874,0.00000743,0.00000931,-0.00100333,-0.00127605,0.00009491,0.0001
 3123,0.00051975,-0.00253474,-0.00056960,-0.00039517,0.00151859,0.00022
 365,0.00012503,0.00059165,-0.00053619,-0.00155506,0.00029554,0.1246776
 4,-0.08771234,0.21678792,-0.00093477,0.00028025,-0.00059785,-0.0053014
 1,0.00173293,-0.00014261,-0.00148895,0.00207224,-0.00282761,0.00884042
 ,0.00515305,-0.01584116,-0.09953867,-0.02581072,0.09501101,-0.00789868
 ,-0.00927025,0.02899979,0.00012654,-0.00039110,0.00129363,-0.00005849,
 0.00016619,0.00009509,-0.00002261,-0.00004726,0.00001451,-0.00001097,-
 0.00000968,-0.00003806,0.00150771,-0.00032941,-0.00192999,-0.00002209,
 0.00046291,-0.00007812,0.00005927,-0.00022158,0.00015536,-0.00001723,-
 0.00018820,-0.00007722,0.00003115,-0.00017582,0.00004843,0.00043778,0.
 00028516,-0.00085903,0.10402980,0.00047577,-0.00053442,-0.00021903,0.0
 0166232,0.00674121,0.00154037,0.00233766,0.00439310,0.00309327,-0.0051
 0810,0.00061731,0.00973922,-0.02510418,-0.05789632,0.07201837,0.001057
 87,0.00300310,-0.00277352,-0.00011339,0.00018768,-0.00008688,0.0000225
 1,0.00004146,0.00003928,-0.00009141,0.00000851,0.00001654,0.00000150,-
 0.00003776,0.00000341,-0.00104881,-0.00351875,-0.00107534,0.00067672,0
 .00058582,0.00067082,-0.00009797,-0.00020066,-0.00018920,-0.00017525,-
 0.00025626,-0.00036517,-0.00015909,-0.00097133,-0.00034019,-0.00024910
 ,0.00029430,0.00060860,0.02669877,0.05046401,-0.00064258,-0.00023609,0
 .00038957,0.00089161,0.00162279,0.00263697,-0.00377409,0.00309195,-0.0
 0123520,0.01127436,0.00622346,-0.01759380,0.09402268,0.07216106,-0.267
 45086,0.00012576,0.00112871,-0.00094565,-0.00027641,0.00014043,-0.0001
 7271,0.00000371,-0.00006565,-0.00003287,0.00000252,0.00001901,0.000001
 37,0.00000720,-0.00000017,0.00001848,0.00167281,-0.00177588,-0.0001546
 4,0.00012647,0.00021567,0.00012662,0.00007092,-0.00039051,0.00030047,0
 .00001120,-0.00003273,0.00007368,0.00004419,-0.00035169,-0.00017318,0.
 00070510,0.00037439,-0.00084711,-0.10300178,-0.08059246,0.28384645,-0.
 00005870,-0.00030181,0.00308967,0.00967936,-0.00427335,0.00939115,-0.0
 0052491,-0.00028420,0.00079457,-0.00468225,0.00072976,0.00257168,-0.01
 417242,0.01141152,-0.02495110,-0.14964481,0.05963325,-0.11473532,0.000
 82628,-0.00112117,0.00037511,-0.00002189,-0.00001105,0.00010901,-0.000
 05520,-0.00049669,0.00006456,-0.00001555,0.00000993,-0.00000365,-0.000
 54639,0.00075564,-0.00101672,-0.00018154,-0.00071942,0.00007657,-0.000
 01035,0.00027307,-0.00017708,0.00001892,0.00022604,0.00013611,0.000494
 65,-0.00026876,0.00055021,0.00000074,-0.00008874,-0.00014653,0.0009476
 6,-0.00069728,0.00012211,0.15821473,-0.00065023,0.00521821,0.00286595,
 0.00665994,0.00036094,0.00603797,-0.00031654,-0.00047203,-0.00034562,0
 .00121224,0.00662657,0.00164227,0.00070058,0.00150956,0.00194270,0.058
 83369,-0.07381992,0.07892991,-0.00076729,-0.00294775,-0.00226976,-0.00
 056012,0.00038597,0.00081395,-0.00000626,0.00003823,0.00008982,-0.0000
 2028,-0.00005519,-0.00014423,-0.00015110,0.00007102,0.00025126,0.00002
 836,0.00012013,0.00011430,-0.00002715,-0.00004500,-0.00006892,-0.00001
 541,-0.00008855,-0.00003612,0.00028274,0.00013456,0.00041959,-0.000103
 36,-0.00098478,-0.00035473,-0.00046927,-0.00316622,-0.00150720,-0.0648
 3438,0.06761825,0.00373175,0.00303763,-0.00318216,-0.01773615,0.010206
 15,-0.01682945,0.00093293,-0.00028830,-0.00019729,0.00180186,0.0016839
 1,0.00224060,0.00409575,-0.00224758,0.00661694,-0.11414809,0.07915192,
 -0.20336409,-0.00218962,-0.00069659,0.00025497,0.00018307,0.00009508,0
 .00006631,-0.00013037,-0.00024015,-0.00024348,-0.00012801,-0.00000083,
 -0.00003553,0.00023019,-0.00006095,0.00018155,0.00004854,-0.00006393,-
 0.00001568,-0.00005207,0.00004027,-0.00000592,-0.00001596,0.00004680,0
 .00003366,-0.00093726,0.00053690,-0.00091220,-0.00014590,-0.00036840,-
 0.00011771,-0.00061000,-0.00144807,0.00031290,0.12394485,-0.08814704,0
 .21429234,0.00140191,-0.00128287,0.00132780,-0.00950709,0.00539663,0.0
 3352138,0.00000520,-0.00024663,-0.00000351,0.00004746,0.00016709,0.000
 07216,-0.00031915,-0.00129148,0.00083252,-0.00537659,0.00156389,-0.000
 63195,-0.05465457,0.01201511,0.04257259,0.00199589,-0.00404309,-0.0165
 8521,-0.00146765,-0.00315439,-0.00042892,0.00024112,0.00076899,-0.0000
 1014,-0.00002983,0.00008204,-0.00011344,0.00004249,-0.00024833,0.00006
 345,-0.00003582,0.00012058,-0.00009757,-0.00001690,0.00009246,0.000033
 46,0.00005966,0.00053257,-0.00084376,0.00003340,0.00002173,-0.00002048
 ,-0.00043996,-0.00006360,0.00006557,0.00007739,0.00030732,0.00013434,0
 .06539555,0.00011352,0.00038731,-0.00036766,-0.00091938,-0.00070924,-0
 .00168540,-0.00002728,-0.00013237,-0.00009260,0.00012513,-0.00014328,0
 .00020179,-0.00059434,0.00016060,-0.00013621,0.00028500,0.00049491,0.0
 0026334,0.01264116,-0.05614698,-0.04477518,0.00360531,-0.00833880,-0.0
 2825870,-0.00348123,-0.00433675,0.00025653,0.00067558,0.00139236,-0.00
 131314,-0.00001193,0.00006824,0.00005957,-0.00001779,0.00002888,-0.000
 04172,-0.00000167,-0.00002079,0.00003130,0.00000440,-0.00000738,0.0000
 0739,0.00022401,0.00002563,0.00026449,-0.00000433,-0.00001775,-0.00000
 990,-0.00000792,-0.00006634,-0.00000688,0.00001793,0.00016867,-0.00029
 552,-0.00768129,0.06029236,-0.00222858,0.00098461,0.00058687,0.0015409
 7,0.00027923,-0.00469180,0.00090199,0.00038357,0.00014331,-0.00012807,
 -0.00018458,0.00059421,-0.00048723,0.00032172,-0.00024408,0.00150743,-
 0.00068945,0.00024197,0.04493924,-0.04588407,-0.28417717,0.00078391,-0
 .00197573,-0.00962554,-0.00190248,-0.00163160,0.00120163,0.00041282,0.
 00085008,0.00053329,0.00004131,-0.00016475,0.00003785,-0.00001957,0.00
 011339,-0.00007269,0.00003699,-0.00005741,0.00005887,0.00002238,-0.000
 02631,0.00000313,0.00018558,-0.00080545,0.00039661,0.00004518,-0.00005
 046,-0.00002974,0.00011148,-0.00003906,-0.00003495,-0.00014233,-0.0001
 8388,0.00027639,-0.04800299,0.05207425,0.30967127,-0.00512049,0.000413
 49,0.00275100,-0.01591422,0.02512118,-0.01896747,-0.00055292,-0.000398
 49,-0.00144081,0.00011511,0.00011196,0.00016535,-0.00021955,-0.0002971
 3,-0.00016024,0.00145593,-0.00016928,-0.00213066,-0.07859009,0.0711246
 0,-0.04628719,0.00506206,-0.01376486,0.00871500,0.00029196,0.00037888,
 0.00057174,-0.00138762,-0.00283099,-0.00128835,0.00001254,0.00001329,0
 .00000185,0.00004438,-0.00021906,-0.00002488,-0.00005085,0.00008895,-0
 .00001609,-0.00000781,0.00011046,0.00007378,0.00012109,0.00028794,0.00
 016836,-0.00043175,-0.00003686,0.00002201,0.00002401,0.00000792,0.0000
 2532,0.00024534,-0.00006914,0.00110555,0.00187479,-0.00519024,0.002711
 33,0.09214660,0.00069751,0.00031355,-0.00035675,-0.00007094,-0.0011286
 9,0.00139900,-0.00070572,-0.00002090,0.00046771,-0.00009950,0.00022489
 ,-0.00055841,0.00057261,0.00015910,-0.00005023,-0.00123386,0.00067810,
 0.00063012,0.07293241,-0.19321623,0.10332071,0.00860605,-0.02457103,0.
 01503661,0.00104987,0.00090201,0.00138817,-0.00443542,-0.00311212,-0.0
 0287937,-0.00001709,-0.00002705,-0.00001767,0.00000013,0.00005474,-0.0
 0000112,0.00001637,-0.00001862,0.00000629,0.00001061,-0.00002888,-0.00
 002355,-0.00006526,-0.00000475,0.00005411,0.00002666,-0.00007130,-0.00
 004510,0.00003162,-0.00004956,-0.00001726,0.00017135,-0.00007508,-0.00
 065674,-0.00306281,0.00551118,-0.00289102,-0.07429564,0.21339079,0.000
 21306,0.00048065,0.00019425,0.00105988,-0.00431768,0.00209549,0.000043
 01,0.00004429,0.00015557,0.00021315,-0.00018480,0.00014686,-0.00062881
 ,-0.00041118,0.00005615,0.00152900,-0.00065454,0.00027909,-0.04775261,
 0.10470995,-0.12307414,0.00278170,-0.00767154,0.00353047,0.00036084,-0
 .00071451,0.00096858,-0.00054324,-0.00121482,-0.00009494,-0.00002378,0
 .00014618,0.00010461,-0.00001577,-0.00001633,-0.00000568,-0.00001749,0
 .00000249,0.00000417,-0.00000715,0.00000019,0.00000470,0.00019763,-0.0
 0013733,0.00040743,0.00000854,-0.00000416,-0.00000803,-0.00005055,0.00
 002779,0.00001706,0.00003171,0.00040238,0.00028803,-0.01121833,0.02376
 742,-0.01609126,0.05331717,-0.11471267,0.12975593,-0.00011196,0.000085
 17,0.00014210,0.00094015,-0.00355255,-0.00135168,-0.00004759,0.0001854
 0,0.00014145,-0.00001505,-0.00003171,0.00000445,-0.00006330,0.00025596
 ,0.00005144,-0.00018935,0.00015542,-0.00004579,-0.01988593,0.00102022,
 0.00274008,-0.27340832,0.05070018,0.04632403,-0.00224740,0.00053218,0.
 00116480,-0.00870111,0.00302173,0.00077080,-0.00001146,-0.00001498,-0.
 00007694,0.00006917,-0.00024154,0.00004311,-0.00006615,0.00010846,-0.0
 0005773,-0.00003614,0.00009863,0.00005102,-0.00001164,-0.00007745,-0.0
 0005441,-0.00003025,0.00002202,-0.00000397,-0.00004355,0.00000964,0.00
 003396,-0.00000435,-0.00011774,-0.00000281,0.00049249,0.00033486,-0.00
 063250,0.00073904,-0.00017478,0.00057529,0.29828759,-0.00055280,0.0002
 4550,0.00040788,-0.00075122,-0.00451270,-0.00197185,-0.00005681,0.0003
 5677,-0.00002109,-0.00009393,-0.00004418,0.00000969,0.00000832,0.00025
 150,0.00019152,-0.00044969,0.00038164,0.00007939,-0.02993373,0.0006305
 0,0.00386700,0.05051077,-0.05688601,-0.00973129,0.00702267,-0.00180001
 ,-0.00252130,0.02736336,-0.00892533,-0.00337119,-0.00001426,-0.0000194
 5,-0.00006368,0.00002553,-0.00023836,0.00000197,-0.00002482,0.00010403
 ,-0.00003107,0.00001071,0.00011558,0.00005614,0.00000294,-0.00015706,-
 0.00021867,-0.00008795,-0.00000523,-0.00001073,-0.00007760,-0.00000672
 ,0.00002974,0.00002671,-0.00020954,0.00002739,0.00057512,0.00123318,0.
 00013600,0.00030322,0.00120863,0.00060685,-0.05369409,0.06996580,0.000
 01339,0.00016168,-0.00003577,-0.00029129,-0.00164035,0.00031227,0.0000
 3789,0.00002230,0.00002246,-0.00003714,-0.00001470,0.00000124,-0.00002
 351,0.00009951,0.00017128,-0.00039506,0.00016520,-0.00009452,-0.009052
 09,0.00018040,0.00099397,0.04624789,-0.00975940,-0.05640459,0.03285138
 ,-0.00829890,-0.01104687,-0.01916404,0.00608851,0.00253718,0.00000249,
 -0.00000836,-0.00001333,-0.00000645,-0.00004744,-0.00005086,-0.0000021
 0,0.00000624,0.00002596,0.00001020,0.00003865,0.00003943,0.00000476,-0
 .00000965,0.00001166,-0.00000550,0.00000513,0.00000234,-0.00004840,-0.
 00001757,0.00001189,0.00002370,-0.00015482,0.00004751,-0.00031212,0.00
 057342,0.00036675,0.00052661,0.00025366,0.00014354,-0.04924030,0.01127
 577,0.06735895,0.00023549,-0.00009035,0.00014021,0.00010596,-0.0000524
 7,0.00002521,-0.00019504,0.00003408,0.00004481,0.00006531,0.00008984,-
 0.00014959,0.00022944,-0.00016832,-0.00006108,-0.00015636,-0.00016313,
 -0.00010614,0.00057584,0.00051626,0.00073090,0.00121360,0.00324612,0.0
 0152896,-0.13808442,-0.11911051,-0.03556528,-0.00012719,-0.00013844,0.
 00013850,-0.00001045,0.00002855,-0.00002401,0.00004200,-0.00018210,-0.
 00002842,-0.00003487,0.00008022,-0.00001336,-0.00000688,0.00009460,0.0
 0006021,-0.00000136,0.00001254,-0.00003789,-0.00000780,-0.00000028,-0.
 00000750,-0.00000781,0.00000109,0.00001525,-0.00008674,0.00020363,-0.0
 0009269,0.00016932,0.00000687,0.00016655,-0.00003144,-0.00020379,0.000
 06616,0.00069597,0.00028468,-0.00047905,0.14670640,-0.00017214,0.00010
 358,0.00001215,0.00047341,0.00014263,0.00005469,0.00000183,0.00000786,
 -0.00001740,-0.00003212,0.00001987,0.00001991,-0.00000851,0.00006277,-
 0.00008889,-0.00001002,-0.00016013,0.00025927,0.00099451,0.00064032,-0
 .00179056,-0.00372523,-0.00672167,-0.00131118,-0.11909431,-0.20245667,
 -0.04508861,0.00030545,0.00056290,0.00085016,-0.00000991,0.00001142,-0
 .00003038,0.00002950,-0.00013803,-0.00001209,-0.00002970,0.00006010,-0
 .00001470,-0.00001017,0.00006594,0.00004215,0.00000476,-0.00002567,-0.
 00000256,-0.00001651,0.00000134,-0.00000822,-0.00001701,-0.00001605,0.
 00001362,0.00004704,0.00010171,-0.00012619,-0.00057123,-0.00028756,-0.
 00038347,0.00006540,0.00052194,0.00010533,0.00039999,-0.00002712,-0.00
 000716,0.13162648,0.21902730,-0.00034272,0.00013743,-0.00000844,0.0011
 1634,0.00011234,-0.00000715,0.00017594,0.00002288,-0.00006090,-0.00002
 139,-0.00008415,0.00015123,-0.00016415,0.00004726,0.00010410,0.0000603
 0,0.00040155,-0.00018380,0.00115183,0.00000070,-0.00645484,-0.02057169
 ,-0.02556881,-0.00808279,-0.03432492,-0.04377417,-0.05919837,-0.000490
 00,-0.00117270,0.00145654,0.00000333,-0.00001926,-0.00000964,0.0000062
 3,-0.00005389,0.00000320,-0.00000451,0.00002536,-0.00000850,0.00000354
 ,0.00002715,0.00001125,0.00002122,-0.00005687,0.00001095,-0.00001741,0
 .00000325,-0.00000213,-0.00002960,0.00000302,0.00000708,0.00006390,-0.
 00020688,0.00013395,-0.00097549,-0.00173549,-0.00062567,0.00021461,0.0
 0005704,0.00022248,0.00033151,0.00019041,0.00145640,0.03773161,0.05090
 431,0.06599831,-0.00001401,-0.00007789,0.00002743,0.00000123,-0.000052
 26,0.00006150,0.00009629,-0.00001428,0.00005080,0.00002197,-0.00004084
 ,0.00002023,0.00005610,-0.00001840,0.00018538,-0.00014894,0.00036517,-
 0.00047639,0.00006988,0.00055584,-0.00034007,-0.00053686,-0.00290412,0
 .00177774,-0.06799581,0.05683529,-0.03997830,0.00046616,-0.00011083,0.
 00033556,0.00002055,-0.00003429,0.00001031,-0.00000022,0.00010824,0.00
 003078,0.00000877,-0.00004390,0.00000235,-0.00002051,-0.00005853,-0.00
 003093,0.00001441,-0.00000793,0.00004233,0.00000374,0.00000605,0.00000
 945,-0.00001704,0.00002583,-0.00000084,-0.00015375,-0.00039789,0.00014
 077,-0.00003939,-0.00011818,0.00010195,0.00006201,-0.00022403,-0.00008
 726,0.00027635,-0.00054265,-0.00022757,0.00586826,-0.01508726,0.011694
 30,0.06853933,-0.00000006,0.00005238,-0.00002740,-0.00010808,0.0000261
 7,0.00003772,-0.00001165,0.00003250,-0.00003596,-0.00001138,0.00000823
 ,0.00001616,-0.00003518,0.00004242,-0.00009444,0.00006152,-0.00024084,
 0.00029070,-0.00015381,0.00087552,-0.00035985,-0.00297255,0.00528430,-
 0.00448527,0.05723350,-0.20658377,0.11181863,-0.00036436,0.00056185,-0
 .00098552,-0.00001325,0.00000137,0.00000485,-0.00001413,-0.00000472,-0
 .00000994,0.00001511,0.00000405,0.00000270,0.00002440,0.00000860,-0.00
 000511,-0.00001181,-0.00000995,-0.00003674,-0.00000064,-0.00001033,-0.
 00000548,0.00002331,-0.00000583,-0.00000587,-0.00022090,0.00008895,-0.
 00015087,0.00004065,0.00024238,0.00007311,0.00017892,0.00027745,0.0000
 3373,-0.00031006,0.00034841,0.00069354,0.00775117,-0.01916634,0.013184
 53,-0.06278431,0.22366033,0.00008882,-0.00002788,-0.00009735,-0.000041
 54,-0.00021831,-0.00002053,0.00006468,-0.00001992,0.00005286,0.0000159
 6,-0.00001772,0.00001071,-0.00002117,-0.00004164,0.00011187,-0.0000826
 9,0.00013027,-0.00023581,-0.00018650,0.00160110,0.00123600,-0.01014972
 ,0.02665986,-0.01741787,-0.03951777,0.11027196,-0.12461713,0.00122269,
 -0.00339214,-0.00627561,0.00001094,-0.00000927,0.00001603,-0.00001142,
 0.00004059,-0.00002227,0.00000453,-0.00002629,0.00002190,0.00000162,-0
 .00001123,0.00000376,0.00002540,0.00003529,0.00006735,0.00001687,0.000
 00390,0.00000165,0.00000362,0.00000846,-0.00000161,-0.00010801,-0.0000
 9739,0.00016445,0.00045423,-0.00006475,0.00036347,-0.00010495,-0.00113
 123,0.00013079,0.00053409,0.00001538,0.00117647,0.00313287,-0.00575914
 ,0.00401438,0.04373504,-0.12270092,0.13800829,0.00034720,-0.00015614,0
 .00015498,-0.00026461,-0.00036201,-0.00066729,-0.00017554,0.00002707,0
 .00004718,0.00003145,0.00010679,-0.00012482,0.00008423,-0.00021498,-0.
 00006426,-0.00065355,-0.00097604,-0.00012713,-0.00004664,-0.00041749,0
 .00004779,-0.00233992,0.00127189,0.00194776,-0.27703211,0.05940770,0.0
 5781417,0.00065139,-0.00006978,-0.00041018,0.00000465,0.00001856,0.000
 01452,0.00001453,0.00006050,0.00005856,-0.00001243,-0.00001377,-0.0000
 3043,-0.00001586,-0.00005289,-0.00004407,-0.00000668,0.00002617,-0.000
 00521,0.00000783,-0.00000125,0.00000591,0.00003276,0.00002647,-0.00000
 625,-0.00021515,0.00008959,-0.00023324,0.00005525,0.00011621,0.0001297
 3,-0.00000231,-0.00004670,0.00000306,0.00144227,-0.00014788,0.00034429
 ,-0.01732004,0.00460724,0.00380845,-0.00753079,0.00147527,0.00136217,0
 .30250237,-0.00028199,0.00005151,-0.00013598,0.00023096,-0.00019253,-0
 .00030087,0.00028002,-0.00005562,-0.00004333,-0.00004146,-0.00013901,0
 .00020422,-0.00035374,0.00014727,0.00013857,-0.00030370,0.00002895,-0.
 00012548,0.00069404,0.00010923,0.00015693,0.00737653,-0.00276261,-0.00
 190514,0.05795211,-0.06216117,-0.01415090,-0.00095497,0.00027934,0.000
 49756,0.00002138,-0.00003308,0.00003962,-0.00004564,0.00024952,0.00004
 031,0.00004019,-0.00010673,0.00001935,-0.00001051,-0.00012983,-0.00007
 453,0.00002026,-0.00001999,0.00007890,0.00000699,0.00000984,0.00001654
 ,-0.00000526,0.00000704,-0.00001624,0.00000218,-0.00062024,0.00004356,
 -0.00018777,0.00010345,0.00008300,0.00000313,0.00003511,0.00000238,-0.
 00020198,0.00034349,-0.00153183,-0.02429131,0.00696540,0.00657166,0.02
 443383,-0.00617396,-0.00667849,-0.06431674,0.06374802,-0.00021541,0.00
 017291,-0.00010922,-0.00029340,-0.00043018,0.00007392,0.00007620,0.000
 01570,-0.00006734,-0.00003229,-0.00004935,0.00008682,-0.00014129,0.000
 02122,0.00002417,-0.00030109,-0.00017056,0.00014285,0.00033684,0.00056
 706,0.00117303,0.03302175,-0.00781886,-0.00907740,0.05655130,-0.013793
 38,-0.06154946,0.00102383,-0.00083987,0.00195644,-0.00000574,0.0000031
 3,0.00002809,-0.00003213,0.00008179,0.00002487,0.00002378,-0.00002961,
 -0.00000354,0.00001940,-0.00004297,-0.00004351,0.00001762,-0.00001530,
 0.00001024,-0.00000185,-0.00001174,-0.00000334,0.00002245,0.00001666,-
 0.00001210,-0.00005047,0.00010641,0.00002625,-0.00011375,0.00024800,0.
 00015489,-0.00008224,-0.00004163,-0.00009339,0.00027433,-0.00150391,-0
 .00656054,-0.00691028,0.00252455,0.00105734,-0.01744125,0.00331006,0.0
 0422149,-0.06456948,0.01715821,0.06841835,-0.00063155,-0.00082980,-0.0
 0037290,-0.00006673,-0.00070022,0.00034988,0.00006682,-0.00019209,-0.0
 0009256,0.00006318,0.00000339,0.00014121,-0.00017116,0.00003541,0.0000
 0106,0.00030551,0.00000518,-0.00030803,-0.00007204,-0.00048214,-0.0002
 1103,-0.00886781,0.00367246,0.00086243,0.00050729,-0.00037794,0.000562
 42,-0.28019303,0.06482014,0.04454406,0.00001760,0.00000667,0.00001699,
 0.00000615,0.00007221,0.00002316,-0.00000780,-0.00003037,-0.00000421,-
 0.00002011,-0.00004603,-0.00002593,-0.00018817,-0.00018096,0.00018574,
 0.00002780,0.00002069,0.00001282,0.00000718,0.00000716,-0.00000604,-0.
 00000574,0.00001854,0.00002086,0.00000213,-0.00000300,-0.00004058,0.00
 004645,0.00012417,-0.00004040,0.00099830,0.00127568,-0.00127831,-0.000
 12174,0.00003591,-0.00001342,0.00034133,-0.00007632,-0.00008737,0.0002
 5163,0.00001673,-0.00074753,0.30687761,-0.00047187,-0.00015932,0.00000
 312,-0.00003670,-0.00054338,-0.00012088,-0.00034501,0.00012801,0.00006
 322,-0.00009532,0.00003066,-0.00020294,0.00025195,-0.00005516,-0.00002
 670,-0.00027476,-0.00001555,0.00027625,0.00062178,0.00083316,-0.000488
 86,0.02727561,-0.00778818,-0.00502023,-0.00034915,0.00080357,-0.001409
 94,0.06298858,-0.06414432,-0.01188552,0.00000075,-0.00000417,0.0000128
 0,-0.00005843,0.00024760,0.00002317,0.00004485,-0.00011506,0.00002595,
 0.00000254,-0.00012544,-0.00006853,-0.00008795,-0.00022577,-0.00026550
 ,0.00000308,0.00000844,0.00001905,0.00001272,0.00000897,-0.00001632,0.
 00001080,0.00002628,-0.00006730,-0.00003500,-0.00005237,0.00004333,-0.
 00022078,0.00028336,0.00008165,0.00120362,-0.00411605,0.00342233,-0.00
 013132,-0.00000735,0.00009922,-0.00027223,-0.00003766,-0.00018561,-0.0
 0038541,0.00042948,0.00055068,-0.07188614,0.06980472,0.00021324,0.0001
 7655,0.00033797,0.00043334,0.00016197,0.00016324,-0.00013884,0.0001360
 2,0.00002903,-0.00003152,-0.00000136,-0.00010068,0.00014963,-0.0000193
 8,-0.00007715,-0.00009410,-0.00008541,0.00000306,0.00036077,-0.0006546
 1,0.00033210,-0.01888603,0.00445409,0.00260804,-0.00120247,-0.00016978
 ,0.00157031,0.04455409,-0.01264174,-0.05638204,-0.00000790,-0.00000982
 ,-0.00002289,0.00001665,0.00005373,0.00012336,0.00001220,0.00000622,-0
 .00006705,-0.00002426,-0.00006052,-0.00006796,-0.00000205,-0.00033325,
 -0.00041718,-0.00003020,-0.00000803,-0.00000032,0.00000662,0.00002066,
 -0.00000221,-0.00000831,0.00002527,-0.00003821,0.00004965,0.00010052,-
 0.00002072,-0.00004432,-0.00016161,-0.00001778,-0.00126582,0.00337566,
 -0.00164934,-0.00003451,-0.00001596,-0.00007274,0.00028694,-0.00017456
 ,0.00019264,0.00047899,0.00000341,-0.00014219,-0.04773363,0.01100674,0
 .05807261,-0.00002814,-0.00003685,0.00052918,-0.00001359,0.00003971,-0
 .00004806,0.00003589,0.00010017,-0.00013426,0.00001423,-0.00002091,-0.
 00002487,0.00006560,0.00002589,-0.00004933,-0.00004299,-0.00002198,-0.
 00007435,0.00024460,-0.00020615,0.00061703,-0.00034345,-0.00254294,-0.
 00906354,-0.00009670,0.00150117,-0.00073705,-0.05011721,0.00518206,0.0
 2527115,0.00000392,-0.00001199,-0.00002504,0.00001003,0.00008273,0.000
 07521,0.00000748,-0.00002072,-0.00003515,-0.00002256,-0.00005999,-0.00
 004836,-0.00019686,-0.00022698,-0.00027527,-0.00001850,0.00001712,0.00
 001990,0.00000219,0.00000913,-0.00000579,0.00000153,0.00000570,-0.0000
 2987,0.00013184,-0.00001738,0.00009045,-0.00013775,-0.00005226,-0.0000
 5021,0.00017777,-0.00063609,-0.00006293,0.00006045,0.00023347,0.000369
 45,0.00056380,0.00011795,-0.00059066,0.00027092,0.00000326,-0.00038648
 ,-0.00178762,0.00634927,0.03057806,0.04921638,-0.00003166,-0.00003729,
 -0.00005819,-0.00011966,-0.00009114,-0.00007779,-0.00003448,0.00001453
 ,0.00000046,-0.00000222,0.00000609,-0.00002322,0.00003900,0.00001731,-
 0.00000954,0.00007344,-0.00003759,0.00005555,-0.00019713,0.00162397,0.
 00082363,-0.00404135,0.00559529,0.02646742,0.00140643,-0.00449810,0.00
 219668,0.00545881,-0.05828660,-0.05263131,-0.00000009,-0.00000505,0.00
 000692,-0.00002779,0.00003597,-0.00004614,0.00001835,-0.00002835,0.000
 03481,0.00002034,-0.00000079,0.00000991,-0.00026085,-0.00004379,0.0000
 2389,0.00001535,0.00000102,-0.00000070,0.00001300,-0.00000324,-0.00000
 575,0.00000561,0.00002534,-0.00000638,0.00001886,-0.00032605,-0.000438
 03,0.00026596,0.00032138,-0.00020143,-0.00010635,0.00101920,-0.0007994
 4,0.00029058,0.00014549,0.00007000,0.00006988,0.00041838,0.00173505,-0
 .00010243,-0.00012417,-0.00010826,0.00002215,-0.00265156,-0.00778228,-
 0.00663544,0.06190920,0.00001538,0.00006759,-0.00058597,-0.00003399,0.
 00015432,0.00010833,0.00001382,-0.00007134,0.00018383,-0.00002824,0.00
 001864,0.00001084,-0.00005403,-0.00002557,0.00009194,-0.00006199,0.000
 07577,0.00003058,0.00018859,-0.00121250,0.00031713,0.00226850,-0.00486
 671,-0.01785843,-0.00174919,0.00454146,-0.00064781,0.02508967,-0.05098
 885,-0.29099389,0.00000033,-0.00000805,0.00003028,-0.00002380,-0.00002
 567,-0.00010199,0.00001036,-0.00001060,0.00006085,0.00002596,0.0000416
 0,0.00005093,0.00004009,-0.00000877,0.00033455,0.00001711,-0.00001312,
 -0.00001316,-0.00001339,-0.00001436,0.00000215,-0.00001378,-0.00007844
 ,0.00004452,0.00026409,0.00077206,0.00067953,-0.00021991,-0.00000700,0
 .00038215,-0.00053346,-0.00003357,0.00060057,0.00002924,-0.00006115,0.
 00038630,0.00012377,-0.00014707,-0.00135657,0.00002091,-0.00008549,0.0
 0034775,0.00060703,-0.00128943,-0.00506285,-0.02643864,0.05493741,0.31
 922013,-0.00016875,-0.00022982,-0.00011792,-0.00009576,-0.00002440,-0.
 00004612,0.00024436,-0.00016330,-0.00009221,0.00010304,-0.00002361,0.0
 0016414,-0.00022625,0.00003960,0.00003220,0.00024098,0.00002995,-0.000
 22583,0.00004956,0.00169414,-0.00109565,0.00498771,0.00833150,0.001932
 16,0.00003476,0.00004579,0.00017224,-0.13788208,-0.12006935,-0.0338841
 3,0.00000186,0.00001690,0.00000289,0.00004281,-0.00016651,-0.00004042,
 -0.00003763,0.00007452,-0.00000247,-0.00000641,0.00009148,0.00006047,-
 0.00004846,0.00009067,0.00028048,0.00000534,0.00000402,-0.00000735,-0.
 00001188,-0.00000782,0.00001160,0.00000474,-0.00000967,0.00004440,-0.0
 0008705,-0.00011513,-0.00011656,0.00028588,0.00045216,-0.00003094,0.00
 080347,-0.00027591,0.00058058,0.00025099,-0.00002282,0.00022525,0.0000
 3482,0.00017369,0.00022435,-0.00011725,-0.00013288,-0.00006119,-0.0174
 2141,-0.02417252,-0.00764639,0.00197844,0.00384446,0.00047205,0.147060
 44,0.00002070,0.00013800,0.00003984,0.00106968,0.00024501,-0.00013935,
 -0.00009095,0.00003876,0.00006213,-0.00005338,0.00003779,-0.00008418,0
 .00011588,-0.00000309,0.00002727,-0.00032162,0.00010344,0.00016794,0.0
 0269519,-0.00311516,0.00403069,-0.01624592,-0.02153082,-0.00638357,-0.
 00045953,0.00077774,-0.00137591,-0.11896794,-0.20151066,-0.04491094,-0
 .00000987,0.00000052,-0.00003385,0.00003206,-0.00015593,-0.00000657,-0
 .00002875,0.00006897,-0.00001997,-0.00000629,0.00007434,0.00004331,0.0
 0006809,-0.00003428,-0.00003268,-0.00002795,-0.00000203,-0.00000864,-0
 .00002899,-0.00000547,0.00001843,0.00001223,-0.00004003,-0.00004225,0.
 00016785,0.00047451,0.00006496,-0.00099328,-0.00155114,-0.00017522,0.0
 0037925,0.00073880,-0.00069739,0.00027995,0.00057129,0.00081187,0.0003
 8290,0.00030580,-0.00012390,0.00002648,-0.00000200,0.00007528,0.004659
 10,0.00742362,0.00259212,-0.00318293,-0.00499738,-0.00165487,0.1305403
 8,0.22195416,-0.00010772,-0.00005482,-0.00048048,-0.00051042,-0.000003
 76,0.00009524,0.00008498,-0.00004289,0.00010479,-0.00000327,0.00000134
 ,0.00008086,-0.00009062,-0.00000679,-0.00000983,0.00008713,-0.00001410
 ,-0.00001519,-0.00096268,0.00241508,-0.00215951,0.01200478,0.01413093,
 0.00292532,0.00077343,0.00062938,0.00108640,-0.03469485,-0.04608415,-0
 .06033392,0.00000137,0.00000202,0.00002073,0.00001052,-0.00001351,0.00
 000514,-0.00001094,0.00001025,-0.00000489,-0.00000697,0.00000200,-0.00
 000061,0.00004806,0.00002414,0.00023366,0.00001380,-0.00001008,-0.0000
 1137,0.00000249,-0.00000217,0.00000075,-0.00000965,0.00001421,0.000018
 49,-0.00005424,0.00018056,0.00032121,0.00033834,0.00093390,0.00051885,
 0.00006520,-0.00080583,0.00057879,-0.00029987,-0.00007047,-0.00030498,
 -0.00005746,-0.00023675,0.00025478,0.00003924,-0.00000353,-0.00007965,
 0.00364106,0.00542756,0.00069619,-0.01947422,-0.02416699,-0.00625338,0
 .03916834,0.04774637,0.06271379,0.00023831,-0.00062348,0.00148631,0.00
 011005,0.00012024,-0.00028689,-0.00609988,0.00138147,-0.00084180,-0.01
 087954,-0.00818305,0.03274225,0.00146603,-0.00107306,0.00202121,-0.000
 20692,0.00000883,0.00001138,-0.00000907,0.00002604,-0.00009889,0.00000
 443,0.00001224,0.00001792,-0.00000732,-0.00000116,0.00000700,-0.000002
 05,-0.00000811,0.00000068,-0.05248346,-0.01034599,0.04271052,0.0011636
 9,0.00327747,-0.01113029,-0.00104867,0.00291106,-0.00026782,-0.0001431
 6,-0.00048061,0.00005136,-0.00046896,-0.00000381,0.00006795,0.00018224
 ,0.00002503,-0.00006927,-0.00016512,0.00052808,-0.00109845,0.00006685,
 0.00000593,-0.00001009,0.00002289,-0.00000007,-0.00001692,-0.00003374,
 0.00000547,-0.00000762,-0.00000632,-0.00000422,-0.00000503,0.00000081,
 0.00000022,-0.00000381,-0.00000617,0.00000632,-0.00000426,0.00000459,-
 0.00000427,0.00000686,0.00000156,0.00000796,0.00000838,0.00000821,0.00
 000155,-0.00001069,-0.00000601,-0.00000327,-0.00000438,0.06622974,0.00
 011046,0.00024236,0.00000285,0.00003535,0.00008373,-0.00007058,0.00050
 118,0.00089457,0.00020396,0.00006803,0.00074821,-0.00270388,0.00071157
 ,0.00010766,-0.00055771,-0.00016876,-0.00013117,-0.00009224,0.00000481
 ,0.00001461,0.00001025,0.00000882,0.00000347,0.00000143,-0.00000723,-0
 .00000378,-0.00000344,0.00000062,-0.00000459,-0.00000399,-0.01084535,-
 0.06387492,0.05331573,-0.00852921,-0.00464589,0.03437867,0.00502739,-0
 .00700994,0.00065357,0.00104624,-0.00055449,-0.00185903,0.00000981,-0.
 00012331,-0.00004533,0.00004424,-0.00018706,-0.00013579,0.00005266,0.0
 0026079,0.00007693,-0.00002739,-0.00005507,-0.00001448,-0.00000840,0.0
 0000025,0.00000276,0.00000145,0.00000196,0.00000098,-0.00000178,-0.000
 00045,-0.00000221,-0.00000363,-0.00000298,0.00000110,0.00000326,-0.000
 00004,0.00000085,0.00000016,0.00000462,0.00000377,0.00000023,0.0000032
 4,0.00000432,0.00000187,-0.00000040,-0.00000196,-0.00000312,-0.0000018
 2,0.00000016,0.01043752,0.07017868,-0.00037371,0.00019703,-0.00034249,
 -0.00011192,-0.00009912,0.00029329,0.00099717,-0.00016789,0.00087631,0
 .00256154,0.00171370,-0.00621313,-0.00303225,0.00032335,0.00068723,0.0
 0037212,-0.00013289,0.00020596,-0.00001117,-0.00000127,0.00006833,-0.0
 0000309,-0.00001688,-0.00001227,0.00000554,0.00000536,-0.00000259,-0.0
 0000008,0.00000567,0.00000221,0.04592355,0.05722944,-0.28579733,-0.000
 33800,0.00125031,-0.00877842,0.00045925,0.00154835,0.00146343,0.000457
 87,-0.00217425,0.00140247,0.00011072,-0.00005044,-0.00002204,-0.000147
 87,-0.00007081,0.00009790,0.00024956,-0.00025635,0.00079092,0.00001643
 ,-0.00001551,-0.00001932,-0.00001552,0.00000116,-0.00000195,0.00002218
 ,-0.00000454,0.00000057,0.00000926,0.00000586,0.00000315,0.00000457,0.
 00000433,0.00000217,0.00000026,-0.00000396,0.00000129,-0.00000305,-0.0
 0000467,-0.00000611,-0.00000099,-0.00000804,-0.00000591,-0.00000533,-0
 .00000073,0.00000568,0.00000622,0.00000513,0.00000191,-0.04639182,-0.0
 5927607,0.31211833,0.00049556,0.00091610,-0.00013836,-0.00006825,0.000
 12129,-0.00053440,0.00008121,-0.00035010,-0.00109906,-0.02717668,-0.02
 074034,-0.02011988,-0.00088239,-0.00131787,0.00191246,-0.00079510,0.00
 153790,0.00059871,-0.00008952,-0.00016977,-0.00007500,0.00001001,0.000
 12407,0.00005439,-0.00000828,-0.00002974,0.00000556,-0.00001379,-0.000
 01968,-0.00002432,-0.09766349,-0.03367956,-0.03176825,0.00733485,-0.00
 048076,0.00645529,-0.00093818,0.00219508,-0.00067920,-0.00113613,0.004
 40434,0.00064549,0.00004925,-0.00008562,0.00000841,-0.00025591,-0.0002
 3893,0.00003405,-0.00008387,-0.00046431,-0.00046230,-0.00018045,0.0001
 1737,0.00003047,-0.00005840,0.00003340,-0.00000331,-0.00004731,-0.0000
 0198,0.00005447,-0.00004764,-0.00003825,-0.00000793,-0.00001889,-0.000
 01840,-0.00001173,0.00000289,0.00000499,0.00000458,0.00001196,0.000028
 11,0.00001935,0.00001028,0.00002983,-0.00000189,-0.00000013,0.00000615
 ,0.00000386,-0.00001402,-0.00002458,0.00000268,0.00263860,0.00309413,0
 .00184759,0.54460995,0.00010627,-0.00003639,-0.00001404,0.00019200,0.0
 0001925,-0.00019651,0.00075081,0.00038738,-0.00041121,-0.00621918,0.00
 239263,0.00223585,0.00216185,-0.00106401,0.00010410,-0.00019086,-0.000
 55300,-0.00002477,-0.00002715,0.00012975,0.00004586,0.00002383,-0.0000
 7650,-0.00003465,-0.00000421,0.00002195,-0.00000620,0.00000085,0.00001
 135,0.00001726,-0.03071915,-0.11378711,-0.03425201,-0.01675320,-0.0309
 7815,-0.01925138,-0.00044356,0.00173263,-0.00354893,0.00154799,-0.0054
 0528,0.00005190,0.00005830,-0.00001122,-0.00004068,-0.00009615,-0.0000
 0515,0.00005262,0.00002447,0.00039577,0.00002717,0.00011921,0.00004216
 ,0.00005175,0.00003328,-0.00000039,-0.00001917,0.00004561,-0.00001246,
 0.00000471,0.00004271,0.00002883,0.00000535,0.00001571,0.00001396,0.00
 000651,-0.00000408,-0.00000601,-0.00000020,-0.00000465,-0.00002206,-0.
 00001183,-0.00000180,-0.00002654,-0.00000475,-0.00000586,-0.00000532,-
 0.00000101,0.00001665,0.00001492,0.00000224,0.00374135,0.00458559,0.00
 254449,-0.04065492,0.53185992,-0.00086920,0.00005155,-0.00018236,0.000
 36987,-0.00015034,0.00059777,0.00236559,-0.00023966,-0.00049767,-0.004
 24324,0.00399059,0.00492641,0.00051105,-0.00004078,-0.00039209,0.00039
 195,-0.00004157,-0.00028195,-0.00002781,0.00004314,0.00001976,0.000006
 25,-0.00007943,-0.00003173,-0.00000119,0.00001604,-0.00001138,-0.00000
 009,0.00000533,0.00002166,-0.02824053,-0.03463722,-0.11872305,0.005720
 45,-0.00598243,0.00395684,-0.00053810,0.00162322,-0.00194752,-0.001255
 20,0.00226445,0.00110395,0.00003626,-0.00007245,-0.00005867,0.00028445
 ,0.00043038,-0.00019034,0.00008722,-0.00021122,0.00015105,0.00010312,-
 0.00002573,-0.00001148,0.00006468,-0.00002702,-0.00001479,0.00004462,-
 0.00000891,-0.00002597,0.00003813,0.00002460,0.00000492,0.00000950,0.0
 0001141,0.00000839,0.00000191,-0.00000701,-0.00000333,-0.00000575,-0.0
 0001189,-0.00001370,-0.00000827,-0.00001054,0.00000885,0.00000728,-0.0
 0000668,-0.00001006,0.00000219,0.00001691,-0.00000530,-0.01751776,-0.0
 2255659,-0.01789269,-0.03490192,-0.04530298,0.53553478,-0.00014333,-0.
 00000220,0.00002308,-0.00002398,-0.00004551,0.00008085,0.00008149,-0.0
 0008915,-0.00003245,0.00045851,-0.00107594,-0.00012698,-0.00001295,-0.
 00004523,-0.00013804,0.00009069,0.00004347,-0.00003158,-0.00001103,0.0
 0002603,0.00001621,0.00002172,0.00000687,-0.00001190,-0.00004916,0.000
 00166,0.00000946,-0.00006956,0.00000222,0.00001478,0.00534588,0.000181
 04,-0.00060803,0.00584976,-0.00353182,0.00343203,-0.00609863,-0.000040
 49,-0.00028237,-0.04998077,0.11620467,-0.03440959,-0.00000145,0.000019
 23,0.00000819,0.00004464,0.00005392,0.00001675,0.00000039,-0.00002930,
 0.00003381,0.00001227,0.00001891,0.00000746,0.00000434,0.00000080,-0.0
 0001422,0.00000762,-0.00001210,0.00001081,0.00002285,-0.00001523,-0.00
 000222,-0.00000417,0.00000539,-0.00000407,0.00001555,-0.00002126,0.000
 00282,0.00001867,0.00001615,-0.00001259,0.00002306,0.00001193,0.000005
 99,0.00001387,-0.00001311,-0.00001426,-0.00000296,0.00000140,0.0000049
 8,-0.00013746,-0.00003921,-0.00049357,-0.00032534,0.00045882,-0.000339
 11,0.04479678,-0.00001441,0.00001829,-0.00009220,0.00001720,-0.0000180
 1,-0.00000196,0.00006155,0.00013384,0.00005662,0.00006151,-0.00008853,
 0.00017035,0.00010385,0.00004783,0.00010369,-0.00000838,-0.00000709,0.
 00001982,0.00002209,-0.00002562,-0.00001995,0.00000872,0.00005031,0.00
 001301,0.00000061,-0.00001991,-0.00000082,-0.00000515,-0.00001779,-0.0
 0000726,-0.00154920,0.00062628,-0.00469200,0.00940267,-0.04160880,-0.0
 0144389,-0.00018250,0.00554454,0.00797882,0.10387207,-0.41522758,0.085
 55131,-0.00001130,0.00000486,0.00002360,0.00006868,-0.00003418,-0.0001
 1039,0.00000610,-0.00002312,-0.00000470,-0.00001330,0.00001212,-0.0000
 1219,-0.00001472,0.00000026,0.00000759,-0.00002098,0.00000284,-0.00000
 238,-0.00002054,-0.00001768,-0.00000227,-0.00002421,-0.00001360,-0.000
 00417,0.00000848,-0.00000178,0.00000331,0.00000697,0.00002661,0.000009
 00,0.00001024,0.00003137,0.00000729,0.00000865,0.00000196,-0.00000386,
 -0.00002672,-0.00001464,-0.00000344,-0.00021700,0.00086279,0.00001490,
 0.00087678,-0.00066421,0.00017494,-0.11213539,0.45071193,0.00002132,0.
 00002285,-0.00005149,0.00002129,-0.00000101,-0.00002065,0.00001172,0.0
 0007707,0.00009192,-0.00019700,0.00020979,-0.00006036,0.00001737,0.000
 00848,0.00005087,-0.00004654,-0.00001789,0.00000118,0.00001754,-0.0000
 1728,-0.00001719,0.00000590,0.00002469,0.00002954,-0.00000788,-0.00001
 104,-0.00000605,0.00001451,-0.00000724,-0.00001674,-0.00233099,-0.0022
 5600,-0.00422287,0.01233232,-0.04565342,0.01293305,0.00009908,0.007194
 47,-0.00099017,-0.04274925,0.12924398,-0.07624739,0.00000410,-0.000004
 57,0.00000880,0.00002712,-0.00006745,-0.00009549,0.00002591,-0.0000106
 0,0.00001588,-0.00002157,0.00001107,-0.00001058,-0.00001048,-0.0000044
 7,0.00000328,-0.00001561,0.00000898,-0.00000533,-0.00001863,-0.0000068
 5,-0.00000966,-0.00001825,-0.00001254,0.00000021,0.00000420,0.00000588
 ,-0.00000280,0.00000940,0.00001837,0.00001516,-0.00000028,0.00001407,0
 .00001818,0.00000779,-0.00000065,-0.00000933,-0.00001702,-0.00001056,-
 0.00000015,-0.00010386,0.00005164,0.00030963,0.00045223,-0.00126828,0.
 00063012,0.03266486,-0.08734154,0.06794222,0.00003484,0.00010656,-0.00
 008282,0.00001024,0.00006132,-0.00015869,0.00009291,0.00002976,-0.0004
 8629,-0.00072908,-0.00225270,-0.00248645,-0.00004580,-0.00052526,0.000
 47747,-0.00025884,0.00022618,0.00022671,0.00000145,-0.00009461,-0.0000
 4624,0.00000583,0.00009458,0.00003867,0.00000244,-0.00003077,0.0000039
 7,-0.00000167,-0.00002090,-0.00002377,-0.01452645,0.00071896,0.0034162
 4,-0.00068986,0.00125501,-0.00099280,0.00094332,-0.00027793,0.00077686
 ,0.00013297,-0.00025891,0.00011656,-0.00002797,0.00000614,0.00003746,0
 .00001411,0.00004339,0.00003281,-0.00000975,-0.00005109,-0.00007995,-0
 .00006153,0.00004574,0.00000054,-0.00003487,0.00001000,0.00001580,-0.0
 0003757,0.00001033,0.00000756,-0.00004413,-0.00002900,-0.00000570,-0.0
 0002157,-0.00001931,-0.00000754,0.00000583,0.00000828,0.00000300,0.000
 00301,0.00002745,0.00001600,0.00000206,0.00002982,0.00000510,0.0000057
 6,0.00000840,0.00000238,-0.00002001,-0.00002156,-0.00000216,0.00045615
 ,0.00030814,-0.00038781,-0.29807251,0.01515678,0.05160616,-0.00006952,
 -0.00007797,-0.00002788,0.32502701,0.00021153,0.00003528,0.00006552,-0
 .00008707,0.00005831,-0.00022584,-0.00037699,0.00018114,0.00006246,-0.
 00114653,-0.00202860,-0.00293146,-0.00053070,-0.00007508,0.00028654,-0
 .00026188,0.00028374,0.00008866,-0.00000305,-0.00003478,-0.00002173,-0
 .00000141,0.00003280,0.00001522,-0.00000026,-0.00000802,0.00000189,-0.
 00000326,-0.00000653,-0.00000710,-0.02113401,-0.00034084,0.00490382,-0
 .00161856,0.00104420,-0.00031994,0.00079062,-0.00009915,0.00042005,0.0
 0017398,0.00018089,0.00016872,-0.00002762,-0.00002410,0.00001366,0.000
 08787,0.00001824,0.00002210,0.00001032,-0.00011490,-0.00009617,-0.0000
 6486,0.00004533,0.00001586,-0.00001932,0.00000473,0.00000810,-0.000018
 44,-0.00000043,0.00000786,-0.00001533,-0.00001147,-0.00000195,-0.00000
 700,-0.00000579,-0.00000234,0.00000207,0.00000099,0.00000167,0.0000025
 4,0.00001038,0.00000561,0.00000282,0.00001003,-0.00000024,0.00000104,0
 .00000218,0.00000151,-0.00000552,-0.00000722,0.00000004,0.00067487,0.0
 0074820,0.00029514,0.01726190,-0.04940057,-0.00342830,-0.00006851,-0.0
 0001813,-0.00001287,-0.01556866,0.04979099,-0.00020509,0.00036638,0.00
 016319,-0.00003895,-0.00009022,0.00015416,-0.00012594,0.00022946,-0.00
 004874,-0.00065645,-0.00307088,-0.00197633,-0.00062255,0.00010776,0.00
 019626,0.00018070,0.00026246,0.00002098,-0.00001624,-0.00009924,-0.000
 01536,-0.00001545,0.00004109,0.00001603,-0.00000002,-0.00000553,0.0000
 0370,-0.00000146,0.00000041,-0.00000840,-0.02111033,0.00056088,0.00310
 906,0.00017392,0.00054250,0.00094599,-0.00037165,-0.00005246,-0.000036
 57,0.00008582,0.00010536,-0.00033130,-0.00003523,0.00001179,0.00001765
 ,-0.00009694,-0.00047494,0.00011258,-0.00001748,-0.00009534,-0.0000721
 8,-0.00005549,-0.00000649,-0.00001145,-0.00001997,0.00000879,0.0000007
 7,-0.00000804,0.00000655,0.00000819,-0.00001664,-0.00001355,-0.0000031
 0,-0.00000229,-0.00000415,-0.00000389,-0.00000080,0.00000225,0.0000004
 4,0.00000368,0.00000349,0.00000410,0.00000249,0.00000502,-0.00000230,-
 0.00000198,0.00000175,0.00000296,-0.00000124,-0.00000535,0.00000155,0.
 00021337,0.00092342,0.00072578,0.05271273,-0.00289044,-0.05813486,-0.0
 0003516,0.00003812,0.00003144,-0.05491001,0.00642363,0.05983521,0.0000
 0332,0.00003275,0.00003791,-0.00001661,-0.00000613,-0.00003381,0.00000
 852,0.00004963,0.00021788,0.00135371,-0.00070225,0.00052716,0.00018518
 ,0.00016715,-0.00015073,-0.00006348,0.00002207,0.00001784,-0.00001592,
 0.00002455,0.00000524,-0.00000495,-0.00003170,-0.00001197,0.00000102,0
 .00001294,-0.00000092,0.00000247,0.00000869,0.00000906,0.00362411,-0.0
 1754526,0.00339044,-0.00256830,-0.00112046,-0.00303916,0.00077912,-0.0
 0000995,0.00052388,0.00050227,-0.00132636,-0.00000630,0.00000341,-0.00
 000128,-0.00000847,0.00003758,-0.00003761,-0.00007886,0.00000390,-0.00
 003462,-0.00002727,0.00001935,-0.00000962,0.00000447,0.00001217,-0.000
 00191,-0.00000585,0.00001051,-0.00000496,0.00000016,0.00001588,0.00001
 024,0.00000200,0.00000877,0.00000766,0.00000285,-0.00000331,-0.0000030
 6,-0.00000122,-0.00000088,-0.00001120,-0.00000565,0.00000006,-0.000011
 96,-0.00000317,-0.00000317,-0.00000308,-0.00000006,0.00000846,0.000008
 15,0.00000095,0.00044504,0.00068483,0.00034012,-0.07418242,0.08006455,
 -0.01326862,0.00011047,-0.00021639,-0.00026328,-0.00821743,0.02952404,
 -0.00586570,0.07720602,0.00009786,-0.00013604,-0.00001336,-0.00006855,
 0.00001858,-0.00011773,-0.00041561,0.00014013,0.00056166,0.00160316,0.
 00096367,0.00019463,-0.00029582,0.00032588,0.00001121,-0.00019114,-0.0
 0002247,-0.00005624,0.00000054,0.00003659,-0.00000086,-0.00000335,-0.0
 0002211,-0.00000425,0.00000686,0.00000684,-0.00000016,0.00000970,0.000
 00544,0.00000295,0.00518545,-0.01996159,0.00357551,-0.00220535,0.00030
 268,-0.00211674,-0.00004966,-0.00014951,-0.00040975,0.00025732,-0.0017
 3902,-0.00035918,-0.00001313,-0.00001343,-0.00000157,0.00006544,0.0000
 5603,-0.00011346,-0.00000937,-0.00005335,-0.00004641,-0.00002407,-0.00
 000558,0.00000390,0.00000206,-0.00000349,0.00000321,-0.00000498,0.0000
 0037,-0.00000476,0.00000512,0.00000804,0.00000129,0.00000566,0.0000042
 5,0.00000273,-0.00000385,0.00000178,-0.00000231,-0.00000308,-0.0000074
 9,-0.00000162,-0.00000372,-0.00000787,0.00000002,-0.00000164,-0.000001
 43,0.00000025,0.00000554,0.00000509,-0.00000005,0.00025738,0.00068234,
 -0.00027374,0.07730202,-0.27849828,0.04098970,0.00008493,-0.00007530,-
 0.00022486,0.00056146,-0.00004969,-0.00005182,-0.08409873,0.30420382,0
 .00021816,-0.00020829,0.00009829,0.00002871,0.00002816,-0.00016302,-0.
 00020277,0.00018767,-0.00017792,0.00096224,0.00037088,0.00044524,0.000
 19060,0.00006206,0.00016947,-0.00016667,-0.00001300,-0.00001750,0.0000
 0397,0.00002704,0.00000998,0.00000626,-0.00001094,-0.00000443,-0.00000
 072,0.00000081,0.00000011,0.00000033,0.00000055,0.00000334,0.00504599,
 -0.02111852,0.00233672,-0.00390722,-0.00019856,-0.00362092,0.00079703,
 0.00035065,0.00136927,0.00056239,-0.00139565,0.00020732,-0.00000588,0.
 00002171,-0.00000156,-0.00004609,0.00004103,0.00009970,-0.00000014,0.0
 0000605,-0.00009755,-0.00001051,-0.00000471,0.00000682,0.00000853,0.00
 000272,-0.00000529,0.00000553,-0.00000141,0.00000207,0.00000592,0.0000
 0466,0.00000100,0.00000167,0.00000129,0.00000021,-0.00000186,0.0000008
 7,-0.00000009,0.00000013,-0.00000357,-0.00000065,0.00000014,-0.0000036
 8,-0.00000174,-0.00000109,0.00000026,-0.00000133,0.00000209,0.00000094
 ,0.00000017,0.00074327,0.00043373,0.00058927,-0.01289603,0.04220510,-0
 .05412602,0.00019741,-0.00031111,-0.00028924,0.00188248,-0.00703356,0.
 00018676,0.01720287,-0.04254224,0.05602617,-0.00036479,0.00011801,0.00
 015397,0.00006045,-0.00012215,0.00031803,-0.00005062,0.00010093,-0.000
 33685,0.00162469,0.00077733,-0.00035930,-0.00048891,0.00027068,-0.0001
 4473,0.00037561,-0.00004765,-0.00014589,-0.00001099,-0.00002550,0.0000
 3318,-0.00001087,-0.00001989,-0.00000920,0.00000322,0.00001007,-0.0000
 0114,0.00000082,0.00001040,0.00000439,0.00130334,0.00408773,-0.0179161
 8,0.00062043,0.00035564,0.00085650,-0.00043085,-0.00017045,-0.00000019
 ,-0.00000531,-0.00004293,-0.00027682,-0.00000548,-0.00002358,-0.000021
 42,-0.00051181,-0.00070344,0.00013179,0.00002206,-0.00005313,0.0001156
 0,0.00001192,-0.00000482,0.00000435,0.00000197,-0.00000111,-0.00000393
 ,0.00002009,-0.00000049,0.00000095,0.00001034,0.00000619,0.00000156,0.
 00000817,0.00000638,0.00000179,-0.00000250,-0.00000226,-0.00000099,-0.
 00000098,-0.00000991,-0.00000559,-0.00000110,-0.00001054,-0.00000424,-
 0.00000425,-0.00000267,0.00000229,0.00000826,0.00000753,0.00000209,-0.
 00133537,-0.00251869,-0.00206778,-0.05318586,-0.00943626,0.03956610,0.
 00001173,0.00000198,0.00009188,-0.00386938,-0.00778461,0.03085839,0.00
 073513,0.00194156,-0.01062675,0.05546084,-0.00015724,-0.00007679,0.000
 13250,0.00007544,-0.00006033,0.00020217,0.00002270,0.00003774,-0.00047
 040,0.00097859,0.00048376,0.00069933,-0.00025199,0.00017703,-0.0000315
 0,0.00020083,0.00004406,-0.00008421,0.00000382,-0.00002668,0.00002030,
 -0.00000059,0.00000589,-0.00000229,-0.00000175,-0.00000282,0.00000010,
 -0.00000618,-0.00000136,0.00000194,0.00302617,0.00450226,-0.02243746,0
 .00019554,0.00119011,-0.00221443,0.00007972,-0.00069268,0.00100041,0.0
 0018130,0.00046267,0.00099380,-0.00002025,0.00000631,-0.00000754,-0.00
 054211,-0.00016200,0.00011265,0.00003374,-0.00008277,0.00002460,-0.000
 00490,-0.00000901,-0.00000738,0.00000471,0.00000063,-0.00000449,0.0000
 0777,0.00000085,-0.00000145,0.00000031,-0.00000251,0.00000048,-0.00000
 119,-0.00000110,-0.00000159,0.00000093,-0.00000064,0.00000064,0.000001
 64,0.00000123,-0.00000100,0.00000169,0.00000322,-0.00000128,0.00000090
 ,0.00000095,-0.00000124,-0.00000239,-0.00000109,-0.00000086,-0.0024809
 1,-0.00282715,-0.00258705,-0.00973863,-0.06108344,0.06319848,0.0000270
 2,-0.00019987,0.00003780,0.00052036,-0.00022213,-0.00278071,-0.0054407
 2,-0.00601486,0.02909907,0.01328564,0.06455050,-0.00041831,0.00011992,
 0.00024329,0.00002734,-0.00017535,0.00030970,0.00011575,0.00056938,-0.
 00013866,0.00151034,-0.00007833,0.00063910,-0.00046218,0.00025766,-0.0
 0016235,0.00036687,-0.00000519,-0.00006286,-0.00000363,-0.00004521,0.0
 0002409,-0.00001152,0.00000381,-0.00000302,0.00000302,0.00000534,0.000
 00168,-0.00000097,0.00000608,0.00000079,0.00196896,0.00265247,-0.02061
 284,-0.00121550,0.00235979,-0.00236733,0.00073351,0.00049712,0.0022319
 7,0.00023069,-0.00026263,0.00067214,-0.00003202,0.00002462,0.00000483,
 0.00016967,-0.00027162,0.00042219,0.00003581,-0.00007599,0.00012331,-0
 .00001393,-0.00001959,-0.00001113,-0.00000659,0.00000132,0.00000035,0.
 00001040,0.00000336,-0.00000050,-0.00000031,-0.00000134,0.00000088,0.0
 0000399,0.00000164,-0.00000066,-0.00000025,-0.00000202,0.00000037,0.00
 000025,-0.00000413,-0.00000367,0.00000011,-0.00000412,-0.00000431,-0.0
 0000302,-0.00000022,0.00000377,0.00000379,0.00000200,0.00000063,-0.002
 21879,-0.00274280,-0.00055157,0.03788121,0.05992414,-0.29440954,0.0000
 2666,-0.00011823,-0.00002597,0.00103237,0.00127343,-0.00489229,0.00048
 818,0.00099406,-0.00304465,-0.04022188,-0.06488938,0.32161229\\-0.0000
 0270,0.00000041,-0.00000109,-0.00000124,-0.00000302,0.00000536,-0.0000
 0023,0.00000052,-0.00000083,0.00001585,0.00000212,-0.00000590,-0.00000
 775,0.00000405,0.00000090,0.00000659,-0.00000054,-0.00000335,0.0000067
 1,-0.00000652,-0.00000497,0.00000453,-0.00000127,-0.00000161,-0.000004
 08,0.00000403,0.00001276,-0.00000416,0.00001099,-0.00000398,-0.0000296
 7,-0.00000434,0.00000061,0.00000742,-0.00000255,-0.00000404,-0.0000012
 5,0.00000052,0.00000336,-0.00000032,0.00000631,0.00000453,-0.00000030,
 0.00000222,-0.00000061,0.00000077,-0.00000086,-0.00000107,0.00000094,-
 0.00000331,0.00000018,-0.00000037,-0.00000121,0.00000126,-0.00000196,0
 .00000354,0.00000048,-0.00000238,0.00000311,0.00000187,-0.00000413,-0.
 00000419,-0.00000104,0.00000110,-0.00000173,-0.00000002,0.00000151,-0.
 00000066,-0.00000057,0.00000150,-0.00000321,-0.00000408,0.00000151,-0.
 00000333,0.00000253,0.00000149,0.00000127,0.00000126,0.00000111,-0.000
 00134,0.00000096,0.00000502,-0.00000064,-0.00000348,-0.00000263,0.0000
 0637,0.00000601,0.00000117,-0.00000508,0.00000135,0.00000304,0.0000008
 7,-0.00000089,0.00000160,-0.00000094,-0.00000348,0.00000133,-0.0000015
 5,-0.00000242\\\@


 Not by the face shall a man be known, but by the mask.
                               -- Karen Blixen
 Job cpu time:       0 days 10 hours 46 minutes 33.0 seconds.
 Elapsed time:       0 days  1 hours 20 minutes 58.2 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 13:50:39 2021.
